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3-Cyanobenzoyl chloride

3-Cyanobenzoyl chloride structure

CAS No:
1711-11-1
Formula:
C8H4ClNO
Chemical Name:
3-Cyanobenzoyl chloride
Synonyms:
3-(Chlorocarbonyl)benzonitrile;3-Cyanobenzoyl chloride 99%;3-Cyanobenzoyl chloride≥ 98% (GC);3-CYANOBENZOYL CHLORIDE;3-Cyanobenzoyl chloride,98%
Categories:
Chemical Reagents > Organic Reagents

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Description

white to pale yellow crystalline mass or light

3-Cyanobenzoyl chloride Basic Attributes

Molecular Weight：

165.58

Exact Mass：

164.998138

UNII：

M7ZY44HLSS

NSC Number：

210285

DSSTox ID：

DTXSID70308863

HScode：

29269090

Characteristics

PSA：

40.9

XLogP3：

2.5

Appearance：

White to pale yellow or light gray Crystalline Mass or Crystalline Powder and Chunks

Density：

1.2744 (rough estimate)

Melting Point：

42-44 °C(lit.)

Boiling Point：

125-129 °C11 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.5430 (estimate)

Vapor Pressure：

0.0101mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

20/21/22-34-20/21/22/34

safety instructions：

26-27-28-36/37/39-45-26/36/37/39/45

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302 + H312 + H332-H314

GHS Classification：

|Danger|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:165.57
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:164.9981414
Monoisotopic Mass:164.9981414
Topological Polar Surface Area:40.9
Heavy Atom Count:11
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Toluene

Tetrahydrofuran

Sodium hydroxide

Sodium carbonate

Acetic acid

Dimethylformamide

Hydrochloric acid

Sulfuric acid

Thionyl chloride

Oxalyl chloride

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3-Cyanobenzoyl chloride

CAS No.: 1711-11-1

Content: 99.00%

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