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Benzoic acid, 3-amino-5-chloro-, methyl ester

Benzoic acid, 3-amino-5-chloro-, methyl ester structure

CAS No:
21961-31-9
Formula:
C8H8ClNO2
Chemical Name:
Benzoic acid, 3-amino-5-chloro-, methyl ester
Synonyms:
Benzoic acid,3-amino-5-chloro-,methyl ester;Methyl 3-amino-5-chlorobenzoate;5-Carbomethoxy-3-chloroaniline;3-Amino-5-chlorobenzoic acid methyl ester
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Benzoic acid, 3-amino-5-chloro-, methyl ester Basic Attributes

Molecular Weight：

185.60800

Exact Mass：

185.61

DSSTox ID：

DTXSID00680962

HScode：

2922499990

Characteristics

PSA：

52.32000

XLogP3：

2.29000

Density：

1.311g/cm3

Boiling Point：

329.413ºC

Flash Point：

153.024ºC

Refractive Index：

1.581

Vapor Pressure：

0mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:185.61
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:185.0243562
Monoisotopic Mass:185.0243562
Topological Polar Surface Area:52.3
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 21961-31-9

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CAS No.: 21961-31-9

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Latest News on Benzoic acid, 3-amino-5-chloro-, methyl ester

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Guide of Benzoic acid, 3-amino-5-chloro-, methyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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