4-Chloro-2-(trifluoromethyl)benzonitrile - CAS 320-41-2

Name: 4-Chloro-2-(trifluoromethyl)benzonitrile
Brand: BOC Sciences
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Catalog:	BB021137
Product Name:	4-Chloro-2-(trifluoromethyl)benzonitrile
CAS:	320-41-2
Synonyms:	4-chloro-2-(trifluoromethyl)benzonitrile; 4-chloro-2-(trifluoromethyl)benzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-2-(trifluoromethyl)benzonitrile
Description:	4-Chloro-2-(trifluoromethyl)benzonitrile (CAS# 320-41-2) is a useful research chemical.
Molecular Weight:	205.56
Molecular Formula:	C8H3ClF3N
Canonical SMILES:	C1=CC(=C(C=C1Cl)C(F)(F)F)C#N
InChI:	InChI=1S/C8H3ClF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H
InChI Key:	GRNQHTXPUDZMGB-UHFFFAOYSA-N
Boiling Point:	109 °C (10 mmHg)
Density:	1.304 g/cm³
MDL:	MFCD00060671
LogP:	3.23048

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline

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

Publication Number	Title	Priority Date
CN-108218784-A	A kind of preparation method of Nilutamide	20180116
CN-106278837-A	The Preparation Method And Their Intermediate of o-trifluoromethyl-4-halogenated benzaldehyde	20150528
RU-2702001-C2	Oxazolidine-based compound and androgen receptor selective agonist	20140424
RU-2702001-C9	Oxazolidine-based compound and androgen receptor selective agonist	20140424
CN-102952039-A	Synthesis method of 4-chloro-2-trifluoromethylbenzonitrile	20121115

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.9906113
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.9906113
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2