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(Methylsulfonyl)acetonitrile

(Methylsulfonyl)acetonitrile structure

(Methylsulfonyl)acetonitrile 

structure
  • CAS No:

    2274-42-2

  • Formula:

    C3H5NO2S

  • Chemical Name:

    (Methylsulfonyl)acetonitrile

  • Synonyms:

    Acetonitrile,2-(methylsulfonyl)-;Acetonitrile,(methylsulfonyl)-;2-(Methylsulfonyl)acetonitrile;(Methylsulfonyl)acetonitrile;Methanesulfonylacetonitrile;NSC 207832;2-Methanesulfonylacetonitrile

Description

(methylsulfonyl)acetonitrile is an aliphatic nitrile.

(Methylsulfonyl)acetonitrile Basic Attributes

119.14

119.14

969929

218-888-5

207832

DTXSID40177280

2926909090

Characteristics

66.3

-1.4

White to off-white Powder or Crystalline Powder

1.3±0.1 g/cm3

83.5-84.5 °C

171.9±23.2 °C

1.447

Slightly soluble in water.

Safety Information

III

6.1

UN 3439 6.1/PG 3

3

20/21/22

22-26-36

Xn,T

P280

H302 + H312 + H332

|Warning|H302 (93.62%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, 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.

Computed Properties

Molecular Weight:119.14
XLogP3:-1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:119.00409958
Monoisotopic Mass:119.00409958
Topological Polar Surface Area:66.3
Heavy Atom Count:7
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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