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3-Amino-4-chlorobenzonitrile

3-Amino-4-chlorobenzonitrile structure

CAS No:
53312-79-1
Formula:
C7H5ClN2
Chemical Name:
3-Amino-4-chlorobenzonitrile
Synonyms:
Benzonitrile,3-amino-4-chloro-;3-Amino-4-chlorobenzonitrile;2-Chloro-5-cyanoaniline
Categories:
Organic Chemistry > Coordination Complexes

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3-Amino-4-chlorobenzonitrile Basic Attributes

Molecular Weight：

152.58

Exact Mass：

152.58

EC Number：

258-471-5

DSSTox ID：

DTXSID50201464

HScode：

2926909090

Characteristics

PSA：

49.8

XLogP3：

Density：

1.3±0.1 g/cm3

Melting Point：

92 °C

Boiling Point：

292°C at 760 mmHg

Flash Point：

130.4±21.8 °C

Refractive Index：

1.610

Safety Information

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

22-36/37/38-43

safety instructions：

26-36/37

Marks：

Hazard note：

Harmful

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H317-H319-H335

GHS Classification：

|Warning|H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Amino-4-chlorobenzonitrile Use and Manufacturing

Preparation of N-(1-(5-cyano-2-(3, 5-dichlorophenoxy)phenylsulfonyl)piperidin-4-yl)-3-fluorobenzenesulfonamide (25) Commercially available 4-chloro-3-benzonitrile was dissolved in 4 parts THF. One part water was added with sodium hydrosulfide (3 eq.) and stirred overnight at 45° C. TLC (25percent EtOAc in hexanes) confirmed completion of the reaction. THF was evaporated in vacuo and the product precipitated. The white solid was collected via vacuum filtration, washed with water and dried in a vacuum oven with gentle heating (97.0percent yield).Under nitrogen protection, a water separator was installed in a 2L four-necked flask, and 152.6 g of

Computed Properties

Molecular Weight:152.58
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:152.0141259
Monoisotopic Mass:152.0141259
Topological Polar Surface Area:49.8
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Amino-4-chlorobenzonitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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3-Amino-4-chlorobenzonitrile

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