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2-(TERT-BUTYLSULFONYL)ACETONITRILE

2-(TERT-BUTYLSULFONYL)ACETONITRILE structure

CAS No:
81536-18-7
Formula:
C6H11NO2S
Chemical Name:
2-(TERT-BUTYLSULFONYL)ACETONITRILE
Synonyms:
TERT-BUTYLSULFONYLACETONITRILE;TERT-BUTANESULFONYLACETONITRILE;TERT-BUTANESULPHONYLACETONITRILE;2-(TERT-BUTYLSULFONYL)ACETONITRILE;2-(tert-butylsulphonyl)acetonitrile

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2-(TERT-BUTYLSULFONYL)ACETONITRILE Basic Attributes

Molecular Weight：

161.22200

Exact Mass：

161.05100

Characteristics

PSA：

66.31000

XLogP3：

1.80408

Density：

1.135g/cm3

Melting Point：

141 °C

Boiling Point：

324.9ºC at 760mmHg

Flash Point：

150.3ºC

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

hazard class code：

R22:Harmful if swallowed.

safety instructions：

S26-S36/37/39

Marks：

Computed Properties

Molecular Weight:161.22
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:161.05104977
Monoisotopic Mass:161.05104977
Topological Polar Surface Area:66.3
Heavy Atom Count:10
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(TERT-BUTYLSULFONYL)ACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-(TERT-BUTYLSULFONYL)ACETONITRILE

SDS

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