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2,6-Dichlorobenzotrifluoride

2,6-Dichlorobenzotrifluoride - CAS 104359-35-5

Catalog:	BB001384
Product Name:	2,6-Dichlorobenzotrifluoride
CAS:	104359-35-5
Synonyms:	1,3-dichloro-2-(trifluoromethyl)benzene; 1,3-dichloro-2-(trifluoromethyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1,3-dichloro-2-(trifluoromethyl)benzene
Description:	2,6-Dichlorobenzotrifluoride (CAS# 104359-35-5) is a useful research chemical.
Molecular Weight:	215.00
Molecular Formula:	C7H3Cl2F3
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)C(F)(F)F)Cl
InChI:	InChI=1S/C7H3Cl2F3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChI Key:	MKSYCGMWKMMQPN-UHFFFAOYSA-N
Boiling Point:	202.1 °C at 760 mmHg
Density:	1.464 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD11035870
LogP:	4.01220

Publication Number	Title	Priority Date
WO-2020189540-A1	Method for preparing aromatic amino acid derivative	20190315
JP-2019157008-A	Disubstituted halogenated polyethers and polymer electrolytes containing the same	20180314
JP-2018131437-A	Method for producing stereoselective disubstituted halogenated epoxides	20170214
WO-2018151019-A1	Stereoselective production method for disubstituted halogenated epoxide	20170214
CN-108349885-B	Method for producing 2-alkyl-4-trifluoromethyl-3-alkylsulfonylbenzoic acids by chemoselective thioether oxidation	20151130

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Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.95639
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.95639
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1