3-Fluoro-5-methylbenzonitrile - CAS 216976-30-6

Catalog:	BB017093
Product Name:	3-Fluoro-5-methylbenzonitrile
CAS:	216976-30-6
Synonyms:	3-fluoro-5-methylbenzonitrile; 3-fluoro-5-methylbenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	3-fluoro-5-methylbenzonitrile
Description:	3-Fluoro-5-methylbenzonitrile (CAS# 216976-30-6) is a useful research chemical.
Molecular Weight:	135.14
Molecular Formula:	C8H6FN
Canonical SMILES:	CC1=CC(=CC(=C1)C#N)F
InChI:	InChI=1S/C8H6FN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,1H3
InChI Key:	GKUQCZSZQBEHCP-UHFFFAOYSA-N
Boiling Point:	212.6 °C at 760 mmHg
Density:	1.11 g/cm³
Appearance:	White solid
MDL:	MFCD03094312
LogP:	2.00578

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
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[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

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GHS Hazard Statement:	H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]; H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]; H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H312 (80%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (80%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501
Signal Word:	Danger

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1