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B-PHENYLCINNAMONITRILE

B-PHENYLCINNAMONITRILE structure

CAS No:
3531-24-6
Formula:
C15H11N
Chemical Name:
B-PHENYLCINNAMONITRILE
Synonyms:
B-PHENYLCINNAMONITRILE;beta-Phenylcinnamonitrile;33-DIPHENYLACRYLONITRILE;3,3-Diphenylpropenenitrile;Benzhydrylideneacetonitrile;3,3-Diphenyl-2-propenenitrile;3,3-di(phenyl)prop-2-enenitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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B-PHENYLCINNAMONITRILE Basic Attributes

Molecular Weight：

205.25

Exact Mass：

205.089142

NSC Number：

120378

DSSTox ID：

DTXSID40298040

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

4.49

Density：

1.1±0.1 g/cm3

Melting Point：

43.0 to 47.0 °C

Boiling Point：

131°C/0.2mmHg(lit.)

Flash Point：

161.4±14.8 °C

Refractive Index：

1.600

Safety Information

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

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|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:205.25
XLogP3:4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:205.089149355
Monoisotopic Mass:205.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:16
Complexity:262
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes