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3-AMINO-2-CHLOROBENZOIC ACID

3-AMINO-2-CHLOROBENZOIC ACID structure

CAS No:
108679-71-6
Formula:
C7H6ClNO2
Chemical Name:
3-AMINO-2-CHLOROBENZOIC ACID
Synonyms:
3-AMINO-2-CHLOROBENZOIC ACID;2-Chloro-3-aminobenzoic acid;Benzoic acid,3-aMino-2-chloro-
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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3-AMINO-2-CHLOROBENZOIC ACID Basic Attributes

Molecular Weight：

171.58

Exact Mass：

171.008713

DSSTox ID：

DTXSID00332631

HScode：

2922499990

Characteristics

PSA：

63.3

XLogP3：

1.4

Density：

1.476±0.06 g/cm3(Predicted)

Melting Point：

154-160 °C(lit.)

Boiling Point：

346.5±27.0 °C(Predicted)

Flash Point：

163.4±23.7 °C

Refractive Index：

1.649

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-AMINO-2-CHLOROBENZOIC ACID Use and Manufacturing

To a stirred solution of 2-chloro-3-nitrobenzoic acid (3 g, 14.88 mmol) in a mixture of EtOH/water (1 : 1) (60 mL) was added iron powder (12.46 g, 223.2 mmol), followed by ammonium chloride (3.9 g, 74.04 mmol). The reaction mixture was heated at 80 C for 3 hrs. After completion of the reaction, the reaction mixture was filtered through a pad of Celite and the collected filtrate was concentrated under reduced pressure to afford 1.5 g (60% yield) of 3-amino-2- chlorobenzoic acid Int-55 as a brown solid. MS (ESI) m/z: 172.11 [M+H]+

Computed Properties

Molecular Weight:171.58
XLogP3:1.4
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

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Guide of 3-AMINO-2-CHLOROBENZOIC ACID

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-AMINO-2-CHLOROBENZOIC ACID

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