4-Cyano-4'-ethylbiphenyl - CAS 58743-75-2

Catalog:	BB053690
Product Name:	4-Cyano-4'-ethylbiphenyl
CAS:	58743-75-2
Synonyms:	4-Cyano-4'-ethylbiphenyl

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(4-ethylphenyl)benzonitrile
Molecular Weight:	207.27
Molecular Formula:	C15H13N
Canonical SMILES:	CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI:	InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3
InChI Key:	DLLIPJSMDJCZRF-UHFFFAOYSA-N
Boiling Point:	354.0±31.0 °C at 760 mmHg
Purity:	>98% by GC
Density:	1.1±0.1 g/cm3
Appearance:	White Powder

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Nitrogen Compounds

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GHS Hazard Statement:	H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (33.33%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (33.33%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (33.33%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (33.33%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H413 (33.33%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P333+P313, P337+P317, P362+P364, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.104799419
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.104799419
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1