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

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

Purpose

3. Purpose

For the synthesis of the drug bromide.

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