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4-Chloro-2-nitrobenzonitrile

4-Chloro-2-nitrobenzonitrile structure

CAS No:
34662-32-3
Formula:
C7H3ClN2O2
Chemical Name:
4-Chloro-2-nitrobenzonitrile
Synonyms:
Benzonitrile,4-chloro-2-nitro-;4-Chloro-2-nitrobenzonitrile;NSC 93896
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Chloro-2-nitrobenzonitrile Basic Attributes

Molecular Weight：

182.56

Exact Mass：

182.56

EC Number：

252-133-0

NSC Number：

93896

DSSTox ID：

DTXSID90188220

HScode：

2926909090

Characteristics

PSA：

69.6

XLogP3：

Density：

1.5±0.1 g/cm3

Melting Point：

97 °C

Flash Point：

143.4±23.7 °C

Refractive Index：

1.599

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-24/25

Marks：

Hazard note：

Harmful/Irritant

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chloro-2-nitrobenzonitrile Use and Manufacturing

Methods of Manufacturing

(0.2 mmol, 36.5 mg), tetrahydroxydiboron (0.6mmol, 53.8 mg), glacial acetic acid (0.24mmol, 14.5mg), cuprous chloride (0.04mmol, 4.0mg), Benzaldehyde (0·24mmol, 25·4mg), methanol (1ml), water (1ml) were added to the test tube, reacted at 60 C for 3h, after the completion of reaction, the reaction solution was extracted with ethyl acetate three times, the combined organic phases are concentrated to dryness, separated through column chromatography (petroleum ether: ethyl acetate =4:1), Yield:(42.4mg, 82%)

Uses

Used as an intermediate in organic synthesis

Computed Properties

Molecular Weight:182.56
XLogP3:2
Hydrogen Bond Acceptor Count:3
Exact Mass:181.9883050
Monoisotopic Mass:181.9883050
Topological Polar Surface Area:69.6
Heavy Atom Count:12
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Chloro-2-nitrobenzonitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

4-Chloro-2-nitrobenzonitrile

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