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2,3-Diaminobenzoic acid

2,3-Diaminobenzoic acid structure

CAS No:
603-81-6
Formula:
C7H8N2O2
Chemical Name:
2,3-Diaminobenzoic acid
Synonyms:
Benzoic acid,2,3-diamino-;2,3-Diaminobenzoic acid;3-Carboxy-1,2-diaminobenzene;3-Carboxy-o-phenylenediamine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,3-Diaminobenzoic acid Basic Attributes

Molecular Weight：

152.15

Exact Mass：

152.15

DSSTox ID：

DTXSID2067321

HScode：

2922499990

Characteristics

PSA：

89.3

XLogP3：

0.5

Density：

1.4±0.1 g/cm3

Melting Point：

189-190 °C

Boiling Point：

382.7°C at 760 mmHg

Flash Point：

185.3±25.1 °C

Refractive Index：

1.711

Safety Information

hazard class code：

22-36

safety instructions：

Marks：

Precautionary statement(s)：

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,3-Diaminobenzoic acid Use and Manufacturing

2-amino-3-nitrobenzoic acid (9.36 g, 51.4 mmol) was dissolved in MeOH (100 mL) and there was added 10percent Pd/C (2.0g). The reaction was stirred under HTo a solution of 2-amino-3-nitrobenzoic acid (2.0g, 0.01092 mole) in methanol (30 mL) at 25 °C, was added Pd/C (2.0 g) and stirred for 15 hours under H

Computed Properties

Molecular Weight:152.15
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:152.058577502
Monoisotopic Mass:152.058577502
Topological Polar Surface Area:89.3
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,3-Diaminobenzoic acid

CAS No.: 603-81-6

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