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4-(2,2-Difluoroethoxy)benzonitrile

4-(2,2-Difluoroethoxy)benzonitrile - CAS 1184375-73-2

Catalog:	BB053569
Product Name:	4-(2,2-Difluoroethoxy)benzonitrile
CAS:	1184375-73-2
Synonyms:	4-(2,2-difluoroethoxy)benzonitrile; SBB046645; 4-(2,2-DIFLUOROETHOXY)BENZONITRILE; 4-(2,2-difluoroethoxy)benzenecarbonitrile; MolPort-009-196-676; STL414764

Technical Data

Computed Properties

IUPAC Name:	4-(2,2-difluoroethoxy)benzonitrile
Molecular Weight:	183.15
Molecular Formula:	C9H7F2NO
Canonical SMILES:	C1=CC(=CC=C1C#N)OCC(F)F
InChI:	InChI=1S/C9H7F2NO/c10-9(11)6-13-8-3-1-7(5-12)2-4-8/h1-4,9H,6H2
InChI Key:	XDMBVXZTLFQXJF-UHFFFAOYSA-N
Boiling Point:	277.7±40.0 °C at 760 mmHg
Purity:	95%
Density:	1.2±0.1 g/cm3

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Related Functional Groups

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

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
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.04957017
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.04957017
Rotatable Bond Count:	3
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5