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(4-FLUOROBENZENESULFONYL)ACETONITRILE

(4-FLUOROBENZENESULFONYL)ACETONITRILE structure

CAS No:
32083-66-2
Formula:
C8H6FNO2S
Chemical Name:
(4-FLUOROBENZENESULFONYL)ACETONITRILE
Synonyms:
BUTTPARK 94\04-21;(4-FLUOROBENZENESULFONYL)ACETONITRILE;(4-FLUOROBENZENESULPHONYL)ACETONITRILE;AKOS BBS-00002847;2-[(4-FLUOROPHENYL)SULFONYL]ACETONITRILE;(4-Fluorobenzenesulphonyl)acetonitrile 97%;(4-Fluorobenzenesulphonyl)acetonitrile97%;4-Fluorophenylsulfonylacetonitrile, 97%
Categories:
Organic Chemistry > Organic Fluorine Compound

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(4-FLUOROBENZENESULFONYL)ACETONITRILE Basic Attributes

Molecular Weight：

199.2

Exact Mass：

199.01000

DSSTox ID：

DTXSID80340572

HScode：

2926909090

Characteristics

PSA：

66.3

XLogP3：

2.20378

Appearance：

WHITE SOLID

Density：

1.37 g/cm3

Melting Point：

87 °C

Boiling Point：

390.5ºC at 760 mmHg

Flash Point：

190ºC

Refractive Index：

1.529

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Hazard note：

Toxic

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (16.67%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:199.20
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:199.01032777
Monoisotopic Mass:199.01032777
Topological Polar Surface Area:66.3
Heavy Atom Count:13
Complexity:303
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4-FLUOROBENZENESULFONYL)ACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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