1-bromodecane 1-bromodecane

structural formula

• 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:112-29-8

mdl number:mfcd00000221

einecs number:203-955-3

rtecs number:hd6850000

brn number:1735227

pubchem number:24848745

physical property data

1. properties: colorless oily liquid. sensitive to light.

2. density (g/ml, 25/4℃): 1.0656

3. relative density (20℃, 4℃): 1.0702

4 . melting point (ºc): -29.2

5. boiling point (ºc, normal pressure): 239.4

6. refractive index at room temperature (n²⁵): 1.4538

7. refractive index: 1.4550

8. flash point (ºc): 94

9. refractive index at room temperature (n²⁰

sup>): 1.4557

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 determined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17 . explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: soluble in ethanol, ether and chloroform are insoluble in water.

toxicological data

1. acute toxicity: mice intraperitoneal ld5o: 4070mg/kg

mammalian inhalation lc5o: 4200mg/m3

ecological data

no harm to water bodies.

molecular structure data

1. molar refractive index: 56.10

2. molar volume (cm³/mol): 206.7

3. isotonic specific volume (90.2k): 482.1

4. surface tension (dyne/cm): 29.5

5. polarizability (10^-24cm³): 22.24

compute chemical data

1. hydrophobic parameter calculation��reference value (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 8

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms :11

8. surface charge: 0

9. complexity: 61.9

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 chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

avoid contact with oxides and alkali.

storage method

this product should be sealed and stored in a cool, dark place.

synthesis method

none yet

purpose

used as intermediates in organic synthesis.