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4-OXO-4-PHENYLBUTANENITRILE,97

4-OXO-4-PHENYLBUTANENITRILE,97 structure

CAS No:
5343-98-6
Formula:
C10H9NO
Chemical Name:
4-OXO-4-PHENYLBUTANENITRILE,97
Synonyms:
β-benzoylpropionitrile;4-keto-4-phenyl-butyronitrile;4-Oxo-4-phenylbutanenitrile 97%;4-OXO-4-PHENYLBUTANENITRILE, 97;3-Benzoylpropio-nitrileBenzene,butanenitrile,gama-oxo-

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4-OXO-4-PHENYLBUTANENITRILE,97 Basic Attributes

Molecular Weight：

159.18500

Exact Mass：

159.06800

NSC Number：

520

DSSTox ID：

DTXSID80201598

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

2.17308

Density：

1.08g/cm3

Melting Point：

74-78ºC

Boiling Point：

325.5ºC at 760mmHg

Flash Point：

150.7ºC

Refractive Index：

1.529

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:159.18
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:159.068413911
Monoisotopic Mass:159.068413911
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-OXO-4-PHENYLBUTANENITRILE,97

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-OXO-4-PHENYLBUTANENITRILE,97

SDS

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