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γ-Oxo-α-phenylbenzenebutanenitrile

γ-Oxo-α-phenylbenzenebutanenitrile structure

CAS No:
6268-00-4
Formula:
C16H13NO
Chemical Name:
γ-Oxo-α-phenylbenzenebutanenitrile
Synonyms:
Benzenebutanenitrile,γ-oxo-α-phenyl-;Hydratroponitrile,β-benzoyl-;γ-Oxo-α-phenylbenzenebutanenitrile;2-Phenyl-3-benzoylpropionitrile;α-Phenyl-β-benzoylpropionitrile;3-Benzoyl-2-phenylpropionitrile;NSC 37148;NSC 4503;4-Oxo-2,4-diphenylbutanenitrile;77670-32-7

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γ-Oxo-α-phenylbenzenebutanenitrile Basic Attributes

Molecular Weight：

235.28100

Exact Mass：

235.28

EC Number：

228-440-0

NSC Number：

37148|4503

Characteristics

PSA：

40.86000

XLogP3：

3.56678

Density：

1.126g/cm3

Melting Point：

126-127 °C

Boiling Point：

424.7ºC at 760 mmHg

Flash Point：

210.7ºC

Refractive Index：

1.584

Safety Information

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H400

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:235.28
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:235.099714038
Monoisotopic Mass:235.099714038
Topological Polar Surface Area:40.9
Heavy Atom Count:18
Complexity:315
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of γ-Oxo-α-phenylbenzenebutanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

γ-Oxo-α-phenylbenzenebutanenitrile

SDS

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