AG003JFN

216144-68-2 | 3-Fluoro-4-(trifluoromethyl)benzoyl chloride

AG003JFN

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CAS Number	216144-68-2
Catalog Number	AG003JFN(AGN-PC-0KK6PE)
Chemical Name	3-Fluoro-4-(trifluoromethyl)benzoyl chloride
IUPAC Name	3-fluoro-4-(trifluoromethyl)benzoyl chloride
InChI	InChI=1S/C8H3ClF4O/c9-7(14)4-1-2-5(6(10)3-4)8(11,12)13/h1-3H
InChI Key	DPDAEMNQJYDHRQ-UHFFFAOYSA-N
MDL Number	MFCD00236284
Molecular Formula	C8H3ClF4O
Molecular Weight	226.5554
SMILES	O=C(Cl)C1=CC=C(C(F)(F)F)C(F)=C1
Synonyms	3-Fluoro-4-(trifluoromethyl)benzoyl chloride, 216144-68-2, 3-fluoro-4-(trifluoromethyl)benzoylchloride, MFCD00236284, ALPHA,ALPHA,ALPHA,4-TETRAFLUORO-P-TOLUOYL CHLORIDE, 3-fluoranyl-4-(trifluoromethyl)benzoyl chloride, ACMC-1COBR, AC1Q4KZL, AC1MC1R2, SCHEMBL662965, CTK1A7698, DTXSID40370456, DPDAEMNQJYDHRQ-UHFFFAOYSA-N, JRD-0554, ZINC2560178, ZX-AP010817, PC9546, SBB097010, AKOS015853118, AS00072, FCH1321504, JS-4121, VZ35082, KS-000018B6, 3-fluoro-4-trifluoromethylbenzoyl chloride, 3-fluoro-4-trifluoromethyl benzoyl chloride, 4-(Chlorocarbonyl)-2-fluorobenzotrifluoride, DB-030490, TR-010145, 3-fluoro-4-(trifiuoromethyl)benzoyl chloride, 3-Fluoro-4-(trifluoromethyl)benzoyl cloride, FT-0615681, Benzoylchloride, 3-fluoro-4-(trifluoromethyl)-, Y-8810, Benzoyl chloride, 3-fluoro-4-(trifluoromethyl)-, 3-Fluoro-4-(trifluoromethyl)benzoic acid chloride, A811308, A815524, 3-Fluoro-4-(trifluoromethyl)benzoyl chloride, 95%, J-014175, I01-18710, F0001-0771, 4-(Chlorocarbonyl)-alpha,alpha,alpha,2-tetrafluorotoluene, 3-FLUORO-4- BENZOYLCHLORIDE, ZINC02560178, CID2734709, 3-Fluoro-4-(trifluoromethyl)benzoyl chloride, 97% - 1G 1g, 171243-30-4,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.981g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.555g/mol
Monoisotopic Mass	225.981g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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