4-Cyano-4'-ethyloxybiphenyl - CAS 58743-78-5

Catalog:	BB053693
Product Name:	4-Cyano-4'-ethyloxybiphenyl
CAS:	58743-78-5
Synonyms:	4-Cyano-4'-ethoxybiphenyl; 4-Cyano-4'-ethyloxybiphenyl; 4-Ethoxy-[1,1'-biphenyl]-4'-carbonitrile; 4-Ethoxy-4'-cyanobiphenyl

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(4-ethoxyphenyl)benzonitrile
Molecular Weight:	223.27
Molecular Formula:	C15H13NO
Canonical SMILES:	CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI:	InChI=1S/C15H13NO/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-10H,2H2,1H3
InChI Key:	VETJRGXWDLHERN-UHFFFAOYSA-N
Boiling Point:	380.8±35.0 °C at 760 mmHg
Melting Point:	102 °C
Purity:	>98% by GC
Density:	1.1±0.1 g/cm3
Solubility:	soluble in Toluene
Appearance:	White Powder
MDL:	MFCD01218033
Refractive Index:	1.53

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Oxygen Compounds

[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.099714038
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.099714038
Rotatable Bond Count:	3
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6