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3-(Trifluoromethoxy)chlorobenzene

3-(Trifluoromethoxy)chlorobenzene - CAS 772-49-6

Catalog:	BB035868
Product Name:	3-(Trifluoromethoxy)chlorobenzene
CAS:	772-49-6
Synonyms:	1-chloro-3-(trifluoromethoxy)benzene; 1-chloro-3-(trifluoromethoxy)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-3-(trifluoromethoxy)benzene
Description:	3-(Trifluoromethoxy)chlorobenzene (CAS# 772-49-6) is a useful research chemical.
Molecular Weight:	196.55
Molecular Formula:	C7H4ClF3O
Canonical SMILES:	C1=CC(=CC(=C1)Cl)OC(F)(F)F
InChI:	InChI=1S/C7H4ClF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChI Key:	OLDJEKBXICPMAS-UHFFFAOYSA-N
Boiling Point:	44 °C (15 torr)
Density:	1.37 g/cm³
Appearance:	Colorless clear liquid
MDL:	MFCD00276971
LogP:	3.23860

Publication Number	Title	Priority Date
CN-112159329-A	Co-production preparation method of o-amino trifluoromethoxybenzene and m-amino trifluoromethoxybenzene	20200912
TW-202100526-A	Pyrrolopyrazole derivatives	20190306
TW-201940477-A	Use of heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides for plant protection	20180308
CN-108059590-A	A kind of preparation method of 3- trifluoromethoxies -4- chlorobenzaldehydes	20171214
WO-2018228476-A1	Benzimidazole compounds and application thereof	20170615

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.9902769
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.9902769
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2