4-Fluoro-3-methylbenzonitrile - CAS 185147-08-4

Catalog:	BB014199
Product Name:	4-Fluoro-3-methylbenzonitrile
CAS:	185147-08-4
Synonyms:	4-fluoro-3-methylbenzonitrile; 4-fluoro-3-methylbenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-fluoro-3-methylbenzonitrile
Description:	4-Fluoro-3-methylbenzonitrile (CAS# 185147-08-4) is a useful research chemical.
Molecular Weight:	135.14
Molecular Formula:	C8H6FN
Canonical SMILES:	CC1=C(C=CC(=C1)C#N)F
InChI:	InChI=1S/C8H6FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3
InChI Key:	ZMEAHKIIWJDJFT-UHFFFAOYSA-N
Boiling Point:	220.3 °C at 760 mmHg
Density:	1.11 g/cm³
MDL:	MFCD03788510
LogP:	2.00578

Publication Number	Title	Priority Date
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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine

GHS Hazard Statement:	H302+H312+H332 (14.29%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.048427358
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	135.048427358
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7