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4-CYANOBENZENESULFONYL CHLORIDE97

4-CYANOBENZENESULFONYL CHLORIDE97 structure

CAS No:
49584-26-1
Formula:
C7H4ClNO2S
Chemical Name:
4-CYANOBENZENESULFONYL CHLORIDE97
Synonyms:
4-CYANOBENZENESULFONYL CHLORIDE97;4-Cyanobenzenesulphonyl chloride;p-Cyanobenzenesulfonyl chloride;paraCyanobenzene Sulfonyl Chloride;p-Cyanobenzenesulphonylchloride;4-(Chlorosulfonyl)-benzonitrile;C-Nitrile, S-chloride;4-Cyanobenzenesulfonyl chloride
Categories:
Chemical Reagents > Organic Reagents

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Description

Light orange solid

4-CYANOBENZENESULFONYL CHLORIDE97 Basic Attributes

Molecular Weight：

201.63016

Exact Mass：

200.965118

BRN：

777939

EC Number：

240-079-0

NSC Number：

210267

DSSTox ID：

DTXSID30197912

HScode：

2926909090

Characteristics

PSA：

66.3

XLogP3：

1.7

Density：

1.5±0.1 g/cm3

Melting Point：

107-111 °C(lit.)

Boiling Point：

333.8°C at 760 mmHg

Flash Point：

155.7±23.2 °C

Refractive Index：

1.600

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 3261 8/PG 3

wgk germany：

hazard class code：

34-43-29-20/21/22-14

safety instructions：

26-36/37/39-45-30-22-8

Marks：

Hazard note：

Corrosive

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314-H317

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-CYANOBENZENESULFONYL CHLORIDE97 Use and Manufacturing

NCS (1.778 g, 13.32 mmol) was added to a suspension of 4- (benzylsulfanyl) benzonitrile (1 g, 4.44 mmol) in AcOH (10 mL) - water (3.5 mL) at 0°C. The mixture was stirred at room (3340) temperature for 2 h. The mixture was diluted with EtOAc and washed with water and brine, dried over NaGeneral

Computed Properties

Molecular Weight:201.63
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:200.9651272
Monoisotopic Mass:200.9651272
Topological Polar Surface Area:66.3
Heavy Atom Count:12
Complexity:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ammonium chloride

Acetone

Hydrochloric acid

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4-Cyanobenzenesulfonyl chloride

CAS No.: 49584-26-1

Content: 99.00%

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Guide of 4-CYANOBENZENESULFONYL CHLORIDE97

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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4-CYANOBENZENESULFONYL CHLORIDE97

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