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4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE

4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE structure

CAS No:
40394-87-4
Formula:
C10H8ClNO
Chemical Name:
4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE
Synonyms:
4-(4-Chlorophenyl)-4-oxobutanenitrile;4-(4-Chlorophenyl)-4-oxobutyronitrile;SCHEMBL10489592;CTK4I2990;DTXSID40343089;KS-00003C6D;ZINC2380592;AKOS009626001;4-Oxo-4-(4-chlorophenyl)butanenitrile;MCULE-8632989654

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4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE Basic Attributes

Molecular Weight：

193.63

Exact Mass：

193.02900

DSSTox ID：

DTXSID40343089

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

2.82648

Density：

1.215g/cm3

Boiling Point：

375.7ºC at 760 mmHg

Flash Point：

181ºC

Refractive Index：

1.544

Safety Information

safety instructions：

36/37

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:193.63
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:193.0294416
Monoisotopic Mass:193.0294416
Topological Polar Surface Area:40.9
Heavy Atom Count:13
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE

SDS

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