AG003UX2

64379-91-5 | trans-3-(Trifluoromethyl)cinnamoyl chloride

AG003UX2

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CAS Number	64379-91-5
Catalog Number	AG003UX2(AGN-PC-0OEQ9Z)
Chemical Name	trans-3-(Trifluoromethyl)cinnamoyl chloride
IUPAC Name	(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
InChI	InChI=1S/C10H6ClF3O/c11-9(15)5-4-7-2-1-3-8(6-7)10(12,13)14/h1-6H/b5-4+
InChI Key	HGQSKTQYEWJJRZ-SNAWJCMRSA-N
MDL Number	MFCD00075514
Molecular Formula	C10H6ClF3O
Molecular Weight	234.6022
SMILES	O=C(Cl)/C=C/C1=CC=CC(C(F)(F)F)=C1
Synonyms	64379-91-5, trans-3-(Trifluoromethyl)cinnamoyl chloride, 3-(Trifluoromethyl)cinnamoyl chloride, (E)-3-(3-(Trifluoromethyl)phenyl)acryloyl chloride, HGQSKTQYEWJJRZ-SNAWJCMRSA-N, (2E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride, 60689-14-7, (E)-3-[3-(Trifluoromethyl)phenyl]acryloyl chloride, 3-Trifluoromethyl-cinnamoyl chloride, PubChem4358, AC1NT9MR, 3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride, AC1Q4J6G, SCHEMBL1331248, SCHEMBL1331250, ZINC2545379, ZX-AP003007, BBL100446, MFCD00075514, PC9640, SBB098296, STL554240, AKOS005254297, (E)-3-trifluoromethylcinnamoyl chloride, PS-10723, RT-004854, C-0071, trans-3-(Trifluoromethyl)cinnamoyl chloride, 97%, 2-Propenoylchloride,3-[3-(trifluoromethyl)phenyl]-, I01-7869, (2e)-3-[3-(trifluoromethyl)phenyl]acryloyl chloride, (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride, 3-[3-(TRIFLUOROMETHYL)PHENYL]-2-PROPENOYLHLORIDE, 3-[(1E)-3-Chloro-3-oxoprop-1-en-1-yl]benzotrifluoride, (2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenoyl chloride #, 2-Propenoyl chloride,3-[3-(trifluoromethyl)phenyl]-,(2E)-, TRANS-3- CINNAMOYLCHLORIDE, CID5375564, TRANS-3-(TRIFLUOROMETHYL)CINNAMOYLCHLORIDE,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	234.006g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	234.602g/mol
Monoisotopic Mass	234.006g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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