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3-(Phenylsulfonyl)propanenitrile

3-(Phenylsulfonyl)propanenitrile structure

CAS No:
10154-75-3
Formula:
C9H9NO2S
Chemical Name:
3-(Phenylsulfonyl)propanenitrile
Synonyms:
Propanenitrile,3-(phenylsulfonyl)-;Propionitrile,3-(phenylsulfonyl)-;3-(Phenylsulfonyl)propanenitrile;3-(Phenylsulfonyl)propionitrile;β-(Phenylsulfonyl)propionitrile;2-Cyanoethyl phenyl sulfone;NSC 71443

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3-(Phenylsulfonyl)propanenitrile Basic Attributes

Molecular Weight：

195.23800

Exact Mass：

195.24

EC Number：

233-424-1

NSC Number：

71443

DSSTox ID：

DTXSID90143990

HScode：

2926909090

Characteristics

PSA：

66.31000

XLogP3：

2.45478

Density：

1.238g/cm3

Melting Point：

93-94 °C

Boiling Point：

425.2ºC

Flash Point：

210.9ºC

Refractive Index：

1.539

Vapor Pressure：

1.95E-07mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3276

hazard class code：

R36/37/38

safety instructions：

S26-S36

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:195.24
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:195.03539970
Monoisotopic Mass:195.03539970
Topological Polar Surface Area:66.3
Heavy Atom Count:13
Complexity:287
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Phenylsulfonyl)propanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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