2-amino-3,5-dibromobenzoic acid methyl ester

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:606-00-8

mdl number:mfcd00010873

einecs number:none

rtecs number:none

brn number:none

pubchem number:24857930

physical property data

physical property data:
1. character:solid crystal

2. melting point (℃): 89~91

toxicological data

none

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1, molar refractive index:57.64

2, molar volume (m³/mol):161.9

3, isotonic specific volume (90.2k )：438.9

4, surface tension (dyne/ cm):53.9

5、 polarizability (10^-24cm³): 22.85

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 52.3

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 201

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

1. basic properties

this product is a solid crystal. 98%the melting point of industrial products is89-91℃.

storage method

storage:

seal the secret container and store it in a sealed main container in a cool place dry position.

synthesis method

2. brief description of production method

obtained from the bromination of methyl anthranilate. combine methyl anthranilate with15%‘s hydrochloric acid stirring mix and cool until5-15℃, add bromine dropwise –hydrochloric acid mixture. gabby, in15℃the following reaction1h, adjust with sodium hydroxide solutionphthe value is2. filter, wash with water until neutral, and dry at low temperature to obtain the finished product. the yield is90%above.

purpose

3. purpose

for the synthesis of the drug bromide.

resource:allhdi.com