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2,4,6-Trichlorophenoxyacetic acid
Structural formula Business number 05V2 Molecular formula C8H5Cl3O3 Molecular weight 255.48 label Aurora 21967, aromatic compounds Numbering system Physical property data Toxicological data Ecological data Molecular structure data Computing chemical data More Properties and Stability Storage method Synthesis method Purpose Numbering system CAS number:575-89-3 MDL number:None EINECS number:209-394-0 RTECS number:AJ8405000 BRN number:None PubChem ID:None Physical property data 1. Physical property data 1. Melting point (ºC): 185 Toxicological data None yet Ecological data None yet Molecular structure data 5. Molecular property data: 1. Molar refractive index: 53.81 2. Molar volume (m3/mol):160.4 3. isotonic specific volume (90.2K):433.1 4. Surface Tension (dyne/cm):53.1 5. Polarizability(10-24cm3):21.33 Compute chemical data 4. Calculated chemical data: 1. Hydrophobic parameter calculation reference value (XlogP) :3.6 2. Hydrogen Bonding Number of donors: 1 3. Hydrogen Bonding Number of receptors: 3 4. Rotatable Number of chemical bonds: 3 5. Topological molecules Polar surface area (TPSA):46.5 6. Heavy atoms Quantity: 14 7. Surface charge :0 8. Complexity:200 9. Isotope atomic number:0 10. Determine the number of atomic stereocenters:0 11. Uncertain number of atomic stereocenters:0 12. Determine the number of stereocenters of chemical bonds:0 13. Uncertain number of chemical bond stereocenters:0 14. Number of covalent bond units: 1 Properties and stability None yet…
Glycyl-DL-phenylalanine
Structural formula Business number 07FD Molecular formula C11H14N2O3 Molecular weight 222.24 label Glycine-DL-phenylalanine, Glycine-DL-phenyl primary amino acid, Gly-DL-Phe, H-Gly-DL-Phe-OH, amino acids Numbering system Physical property data Toxicological data Ecological data Molecular structure data Computing chemical data More Properties and Stability Storage method Synthesis method Purpose Numbering system CAS number:721-66-4 MDL number:MFCD00065109 EINECS number:211-958-6 RTECS number:None BRN number:None PubChem number:24895098 Physical property data 1. Character: Undetermined 2. Density (g/mL,25/4℃): Undetermined 3. Relative vapor density (g/mL,AIR=1): Undetermined 4. Melting point (ºC): Undetermined 5. Boiling point (ºC,Normal pressure): Undetermined 6. Boiling point (ºC,5.2kPa): Undetermined 7. Refractive index: undetermined8. Flashpoint (ºC): Undetermined 9. Specific optical rotation (º): Undetermined 10. Autoignition point or ignition temperature (ºC): Undetermined 11. Vapor pressure (kPa,25ºC): Undetermined 12. Saturated vapor pressure (kPa,60ºC): Undetermined 13. Heat of combustion (KJ/mol): Undetermined 14. Critical temperature (ºC): Undetermined 15. Critical pressure (KPa): Undetermined 16. Oil and water (octanol/Log value of partition coefficient (water): undetermined 17. Explosion upper limit (%,V/V): Undetermined 18. Lower explosion limit (%,V/V): Undetermined 19. Solubility: Undetermined Toxicological data None yet Ecological data None yet Molecular structure data 1. Molar refractive index: 58.38 2. Molar volume(m3/ mol):176.3 3. isotonic ratio(90.2K):484.4 4. Surface Tension(dyne/cm):56.9 5. Dielectric constant: 6. Dipole moment(10 -24cm3): 7. Polarizability:…
2-Methyl-4(5)-nitroimidazole
Structural formula Business number 07AU Molecular formula C4H5N3O2 Molecular weight 127.10 label 2-Methyl-4-nitroimidazole, 2-Methyl-4-Nitro-1 H-Imidazole, Intermediates of metronidazole, Heterocyclic compounds Numbering system Physical property data Toxicological data Ecological data Molecular structure data Computing chemical data More Properties and Stability Storage method Synthesis method Purpose Numbering system CAS number:696-23-1 MDL number:MFCD00151322 EINECS number:211-790-3 RTECS number:NI7550000 BRN number:4032 PubChem number:24848270 Physical property data 1. Characteristics: slightly white powder. 2. Density (g/mL,25/4℃): Undetermined 3. Relative vapor density (g/mL,AIR=1): Undetermined 4. Melting point (ºC): 251-255 5. Boiling point (ºC,Normal pressure): Undetermined 6. Boiling point (ºC,5.2kPa): Undetermined 7. Refractive index: Undetermined 8. Flash point ( ºC): Undetermined 9. Specific optical rotation (º): Undetermined 10. Autoignition point or ignition temperature (ºC): Undetermined 11. Vapor pressure (kPa,25ºC): Undetermined 12. Saturated vapor pressure (kPa,60ºC): Undetermined 13. Heat of combustion (KJ/mol): Undetermined 14. Critical temperature (ºC): Undetermined 15. Critical pressure (KPa): Undetermined 16. Oil and water (octanol/Log value of partition coefficient (water): undetermined 17. Explosion upper limit (%,V/V ): Undetermined 18. Lower explosion limit (%,V/V): Undetermined 19. Solubility: slightly soluble in water. Toxicological data None yet Ecological data If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with…
1-bromo-3-phenylpropane
Structural formula Business number 070V Molecular formula C9H11Br Molecular weight 199.09 label (3-bromopropyl)benzene, 3-phenylpropyl bromide, 3-Phenylpropyl bromide, (3-Bromopropyl)benzene, 3-Phenylpropyl bromide, Hydrocinnamyl bromide, C6H5(CH2)3Br Numbering system Physical property data Toxicological data Ecological data Molecular structure data Computing chemical data More Properties and Stability Storage method Synthesis method Purpose Numbering system CAS number:637-59-2 MDL number:MFCD00000257 EINECS number:211-294-7 RTECS number:None BRN number:2205527 PubChem number:24887402 Physical property data 1. Characteristics: colorless liquid. 2. Density (g/mL,25/4 ℃):1.310 3. Relative vapor density (g/mL,air=1): Undetermined 4. Melting point (ºC ): Undetermined 5. Boiling point (ºC,Normal pressure):220 6. Boiling point (ºC,5.2kPa): Undetermined 7. Refractive index:1.5450 8. Flash point (ºC): 101 9. Specific rotation (º): Undetermined 10. Autoignition point or ignition temperature (ºC): Undetermined 11. Vapor pressure (kPa,25ºC): Undetermined 12. Saturated vapor pressure (kPa, 60ºC): Undetermined 13. Heat of combustion (KJ/mol): Undetermined 14. Critical temperature (ºC): Undetermined 15. Critical pressure (KPa): Undetermined 16. Oil and water (octanol/Log value of the partition coefficient (water): undetermined 17. Explosion upper limit (%,V/V): Undetermined 18. Lower explosion limit (%,V/V): Undetermined 19. Solubility: Not determined. Toxicological data None yet Ecological data Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission. Molecular structure data 1. Molar refractive index:…
2-Methyl-3-hexanol
Structural formula Business number 06HW Molecular formula C7H16O Molecular weight 116.20 label 5-Methyl-4-hexanol, 1-Isopropyl-1-butanol, alcohol solvents, aliphatic compounds Numbering system Physical property data Toxicological data Ecological data Molecular structure data Computing chemical data More Properties and Stability Storage method Synthesis method Purpose Numbering system CAS number:617-29-8 MDL number:MFCD00004577 EINECS number:210-508-6 RTECS number:None BRN number:1719040 PubChem number:24896962 Physical property data 1. Properties: colorless liquid 2. Boiling point (ºC, 101.3kPa): 141~143 (102kpa) 3. Relative density (g/mL, 25 /4ºC): 0.821 4. Refractive index (n20ºC): 1.4215 5. Flash point (ºC): 40 6. Solubility: energy Miscible with ethanol, ether and benzene, insoluble in water. Toxicological data None yet Ecological data This substance may be harmful to the environment, and special attention should be paid to water bodies. Molecular structure data 1. Molar refractive index: 35.93 2. Molar volume (cm3/mol): 142.3 3. Isotonic specific volume (90.2K ): 322.1 4. Surface tension (dyne/cm): 26.2 5. Polarizability (10-24cm3): 14.24 Compute chemical data 1. Reference value for hydrophobic parameter calculation (XlogP): 2.2 2. Number of hydrogen bond donors: 1 3. Number of hydrogen bond acceptors: 1 4. Number of rotatable chemical bonds: 3 5. Number of tautomers: none 6. Topological molecule polar surface area 20.2 7. Number of heavy…
N-Hydroxyethylcarbamate
Structural formula Business number 0604 Molecular formula C3H7NO3 Molecular weight 105.09 label Ethyl N-hydroxycarbamate, HONHCOOCH2CH3 Numbering system Physical property data Toxicological data Ecological data Molecular structure data Computing chemical data More Properties and Stability Storage method Synthesis method Purpose Numbering system CAS number:589-41-3 MDL number:MFCD00002108 EINECS number:209-648-0 RTECS number:FB1750000 BRN number:1747529 PubChem number:24847397 Physical property data 1. Physical property data 1. Boiling point (ºC): 113-116 2. Refractive index:n20/D 1.445(lit.) 3. Flashpoint (ºC):230°F Toxicological data None yet Ecological data None yet Molecular structure data 5. Molecular property data: 1, Molar refractive index:22.85 2, Molar volume (cm3/mol):87.8 3, Isotonic specific volume (90.2K):220.9 4, Surface tension (dyne/cm):39.9 5、 Polarizability (10-24cm3):9.05 Compute chemical data 1. Reference value for hydrophobic parameter calculation (XlogP): -0.2 2. Number of hydrogen bond donors: 2 3. Number of hydrogen bond acceptors: 3 p> 4. Number of rotatable chemical bonds: 2 5. Number of tautomers: 3 6. Topological molecule polar surface area 58.6 7. Number of heavy atoms: 7 8. Surface charge: 0 9. Complexity: 63.2 10. Number of isotope atoms: 0 11. Determine the number of atomic stereocenters: 0 12. Uncertain number of atomic stereocenters: 0 13. Determine the number of chemical bond stereocenters: 0 14. Number of uncertain…
1-phenyl-2,2,2-trifluoroethanol
Structural formula Business number 04AM Molecular formula C8H7F3O Molecular weight 176.14 label 1-phenyl-2,2,2-trifluoroethanol, (±)α-(trifluoromethyl)benzylalcohol, (R,S)-2,2,2-Trifluoro-1-phenyl-ethanol, 1-Phenyl-2,2,2-trifluorethanol, Benzenemethanol,α-(trifluoromethyl)-,(±)-, α-(Trifluoromethyl)benzylalcohol, (+/-)-ALPHA-(TRIFLUOROMETHYL)BENZYLALCOHOL, ALPHA-(TRIFLUOROMETHYL)BENZYL A Numbering system Physical property data Toxicological data Ecological data Molecular structure data Computing chemical data More Properties and Stability Storage method Synthesis method Purpose Numbering system CAS number:340-05-6 MDL number:MFCD00004498 EINECS number:206-429-1 RTECS number:None BRN number:3197623 PubChem ID:None Physical property data 一 , physical property data Traits :Not available Density (g/mL,25/4℃): 1.297 Relative Vapor density (g/mL, air=1):Not available Melting point (ºC): Not available Boiling point (ºC, normal pressure):64-65 Boiling point (ºC, 5.2kPa): Not available Refraction Rate: 1.462 Flash Point (ºC): Not available Optical rotation (º): Not available Spontaneous combustion Point or ignition temperature (ºC): Not available Steam Pressure (kPa, 25ºC): Not available saturated Vapor pressure (kPa, 60ºC): Not available Burn Heat (KJ/mol):Not available Critical Temperature (ºC): Not available Critical Pressure (KPa): Not available oil and water Log value of the (octanol/water) partition coefficient:Not available Explosion Upper limit (%, V/V): Not available Explosion Lower limit (%, V/V): Not available Dissolve Properties: Not available Toxicological data Two , Toxicological data: Acute Toxicity:Not available . Ecological data Three , Ecological data: 1 ,Other harmful effects: This substance may be harmful to the…
1,2-bistrifluoromethylbenzene
Structural formula Business number 04TC Molecular formula C8H4F6 Molecular weight 214.11 label 1,2-Bis(trifluoromethyl)benzene, o-Bis(trifluoromethyl)benzene, o-Xylene, alpha,alpha,alpha,alpha’,alpha’,alpha’-hexafluoro-, 1,2-BIS(TRIFLUOROMETHYL)BENZENE, 1,2-BIS(TRIFLUROMETHYL)BENZENE, alpha,alpha,alpha,alpha’,alpha’,alpha’-Hexafluoro-o-xylene, α,α,α,α’,α’,α’-Hexafluoro-o-xylene Numbering system Physical property data Toxicological data Ecological data Molecular structure data Computing chemical data More Properties and Stability Storage method Synthesis method Purpose Numbering system CAS number:433-95-4 MDL number:None EINECS number:207-092-3 RTECS number:None BRN number:None PubChem ID:None Physical property data 一 , physical property data Traits :Not available Density (g/mL,25/4℃): Not available Relative Vapor density (g/mL, air=1):Not available Melting point (ºC): Not available Boiling point (ºC, normal pressure):Not available Boiling point (ºC, 5.2kPa): Not available Refraction Rate: Not available Flash Point (ºC): Not available Optical rotation (º): Not available Spontaneous combustion Point or ignition temperature (ºC): Not available Steam Pressure (kPa, 25ºC): Not available saturated Vapor pressure (kPa, 60ºC): Not available Burn Heat (KJ/mol):Not available Critical Temperature (ºC): Not available Critical Pressure (KPa): Not available oil and water Log value of the (octanol/water) partition coefficient:Not available Explosion Upper limit (%, V/V): Not available Explosion Lower limit (%, V/V): Not available Solubility:Not available Toxicological data Two , Toxicological data: Acute Toxicity:Not available . Ecological data Three , Ecological data: 1 ,Other harmful effects: This substance may be harmful to the…
Matrine
Structural formula Business number 05CA Molecular formula C15H24N2O Molecular weight 248.37 label Sophocarpidine, matrine, pesticides Numbering system Physical property data Toxicological data Ecological data Molecular structure data Computing chemical data More Properties and Stability Storage method Synthesis method Purpose Numbering system CAS number:519-02-8 MDL number:MFCD00210527 EINECS number:None RTECS number:None BRN number:None PubChem ID:None Physical property data 1. Properties: white powder. 2. Solubility: soluble in water, benzene, chloroform, methanol, ethanol, slightly soluble in petroleum ether. Toxicological data 1. Acute toxicity: Rat intraperitoneal LD50: 125mg/kg, no detailed description except the lethal dose; Mouse intraperitoneal LC50: 150mg/kg, no details except the lethal dose Detailed description; Mouse intravenous LC50: 64850ug/kg, no detailed description except lethal dose; Mouse intramuscular LC50: 74150ug/kg, except lethal dose No detailed description; Ecological data None yet Molecular structure data 1. Molar refractive index: 71.12 2. Molar volume (cm3/mol): 213.3 3. Isotonic specific volume (90.2K ): 562.5 4. Surface tension (dyne/cm): 48.3 5. Polarizability (10-24cm3):28.19 Compute chemical data 1. Hydrophobic parameter calculation reference value (XlogP): 1.6 2. Number of hydrogen bond donors: 0 3. Number of hydrogen bond acceptors: 2 4. Number of rotatable chemical bonds: 0 5. Number of tautomers: 6. Topological molecular polar surface area (TPSA): 23.6 7. Number…
Nitrogen reagent
Structural formula Business number 053F Molecular formula C20H16N4 Molecular weight 312.38 label nitrogen reagent, 1,4-diphenyl-3-(phenylamino)-1H-1,2,4-triazonium hydroxyl salt, 1,4-Diphenyl-endoanilino-dihydrotriazole Numbering system Physical property data Toxicological data Ecological data Molecular structure data Computing chemical data More Properties and Stability Storage method Synthesis method Purpose Numbering system CAS number:487-88-7 MDL number:None EINECS number:None RTECS number:None BRN number:None PubChem ID:None Physical property data 1. Character: Undetermined 2. Density (g/ m3,25/4℃): Undetermined 3. Relative steam Density (g/cm3,AIR=1): Undetermined 4. Melting point (ºC):189-190 5. Boiling point (ºC,Normal pressure): Undetermined 6. Boiling point (ºC,5.2kPa): Undetermined 7.Refractive Index: Undetermined 8. Flash Point (ºF): Undetermined 9. Specific optical rotation (º): Undetermined 10. Autoignition point or ignition temperature (ºC): Undetermined 11. Vapor pressure (kPa,25ºC): Undetermined 12. Saturated vapor pressure (kPa,60ºC): Undetermined 13. Heat of combustion (KJ/mol): Undetermined 14. Critical temperature (ºC): Undetermined 15. Critical pressure (KPa): Undetermined 16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined 17. Explosion limit (%,V/V): Undetermined 18. Lower explosion limit (%,V/V): Undetermined 19. Solubility: Undetermined Toxicological data None yet Ecological data This substance may be harmful to the environment, and special attention should be paid to water bodies. Molecular structure data None yet Compute chemical data 1. Reference value for hydrophobic parameter calculation (XlogP):…