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4-Amino-2-chlorobenzoic acid

4-Amino-2-chlorobenzoic acid structure

CAS No:
2457-76-3
Formula:
C7H6ClNO2
Chemical Name:
4-Amino-2-chlorobenzoic acid
Synonyms:
Benzoic acid,4-amino-2-chloro-;4-Amino-2-chlorobenzoic acid;2-Chloro-p-aminobenzoic acid;2-Chloro-4-aminobenzoic acid;o-Chloro-p-aminobenzoic acid;NSC 33944;NSC 53160;NSC 64328
Categories:
Biochemical Engineering > Amino Acids and Derivatives

Description

beige to light brown powder

4-amino-2-chlorobenzoic acid is 4-Aminobenzoic acid in which one of the hydrogens ortho- to the carboxylic acid group is substituted by chlorine. It is an aminobenzoic acid and a member of monochlorobenzenes.

4-Amino-2-chlorobenzoic acid Basic Attributes

Molecular Weight：

171.58

Exact Mass：

171.58

BRN：

2803668

EC Number：

219-540-5

UNII：

Y3S6924IA6

NSC Number：

64328|53160|33944

DSSTox ID：

DTXSID9062431

HScode：

29224995

Characteristics

PSA：

63.3

XLogP3：

1.5

Appearance：

Beige to light brown Powder

Density：

1.5±0.1 g/cm3

Melting Point：

211 °C (decomp)

Boiling Point：

365.3ºC at 760mmHg

Flash Point：

174.8±23.7 °C

Refractive Index：

1.649

Storage Conditions：

−20°C

Vapor Pressure：

5.58E-06mmHg at 25°C

Toxicity：

Abdominal cavity-mouse LDL0: 500 mg/kg

Flammability characteristics：

Thermal decomposition releases toxic chloride, nitrogen oxide fumes

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

DG1575000

Marks：

Storage features：

The warehouse is low-temperature, ventilated and dry

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

2-chloro-4-aminobenzoic acid

4-Amino-2-chlorobenzoic acid Use and Manufacturing

Methods of Manufacturing

First, NaBH4 (1 mmol) was used as a reducing agent forthe conversion of Ag (+ 1) to Ag (0) in methanol at roomtemperature for 2 h. After that, the Ag/MMT was filtered andused as a catalyst. Then, in a typical procedure, a mixtureof 4-nitrophenol (0.1 mmol), KOH (0.15 mmol), isopropylalcohol (3 mL), and Ag/MMT catalyst (50 mg) 1.01 wtpercentwas stirred at room temperature for an appropriate time(Scheme 2). After the completion of the reaction (monitoredby GC), the catalyst was separated by filtration. The ensuingproduct was extracted with ethyl acetate and repeatedlywashed with water (3–4 times) to remove KOH. The resultingsolvent was evaporated to dryness in vacuum.Step 5a.

Uses

Used as pharmaceutical intermediate

Manufacturing Info：

Benzoic acid, 4-amino-2-chloro-: INACTIVE

Computed Properties

Molecular Weight:171.58
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.0087061
Monoisotopic Mass:171.0087061
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-Amino-2-chlorobenzoic acid

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

4-Amino-2-chlorobenzoic acid

CAS No.: 2457-76-3

Content: 99.00%

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YANGZHOU SHUANGDING CHEM CO., LTD Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of 2]-paracyclophane,3-Nitrobenzoic acid,4-Hydroxybenzaldehyde,2-Chloro-5-nitrobenzoic acid,3-Aminobenzoic acid,4-Chlorobenzoic acid,3-Hydroxybenzaldehyde,2-Chloro-4-nitrobenzoic acid,Dichloro-[2,3-Nitrobenzaldehyde,2-Nitrodiphenylamine,2-Fluorobenzonitrile,Chloroacetonitrile,4-Nitrobenzaldehyde,Benzonitrile

4-Amino-2-chlorobenzoic acid

CAS No.: 2457-76-3

Content: 99.00%

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Guide of 4-Amino-2-chlorobenzoic acid

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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4-Amino-2-chlorobenzoic acid

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