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2-Chloro-α-[(dimethylamino)methylene]-β-oxobenzenepropanenitrile

2-Chloro-α-[(dimethylamino)methylene]-β-oxobenzenepropanenitrile structure

CAS No:
52200-17-6
Formula:
C12H11ClN2O
Chemical Name:
2-Chloro-α-[(dimethylamino)methylene]-β-oxobenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,2-chloro-α-[(dimethylamino)methylene]-β-oxo-;2-Chloro-α-[(dimethylamino)methylene]-β-oxobenzenepropanenitrile;2-(2-Chlorobenzoyl)-3-(dimethylamino)acrylonitrile;2-(2-Chlorobenzoyl)-3-(dimethylamino)prop-2-enenitrile

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2-Chloro-α-[(dimethylamino)methylene]-β-oxobenzenepropanenitrile Basic Attributes

Molecular Weight：

234.68154

Exact Mass：

234.68

DSSTox ID：

DTXSID40562894

HScode：

2926909090

Characteristics

PSA：

44.1

XLogP3：

2.49178

Density：

1.215g/cm3

Melting Point：

152-154 °C

Boiling Point：

436.4ºC at 760 mmHg

Flash Point：

217.7ºC

Refractive Index：

1.569

Safety Information

Hazard category：

IRRITANT

Marks：

Hazard note：

Irritant

Computed Properties

Molecular Weight:234.68
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:234.0559907
Monoisotopic Mass:234.0559907
Topological Polar Surface Area:44.1
Heavy Atom Count:16
Complexity:340
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Chloro-α-[(dimethylamino)methylene]-β-oxobenzenepropanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Chloro-α-[(dimethylamino)methylene]-β-oxobenzenepropanenitrile

SDS

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