AG006PTF

95096-06-3 | 3-[3-(Trifluoromethyl)phenyl]propanenitrile

AG006PTF

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CAS Number	95096-06-3
Catalog Number	AG006PTF(AGN-PC-0N4WCR)
Chemical Name	3-[3-(Trifluoromethyl)phenyl]propanenitrile
IUPAC Name	3-[3-(trifluoromethyl)phenyl]propanenitrile
InChI	InChI=1S/C10H8F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7H,2,4H2
InChI Key	WQFANOZTLIFBLX-UHFFFAOYSA-N
MDL Number	MFCD04973009
Molecular Formula	C10H8F3N
Molecular Weight	199.1724
SMILES	FC(F)(F)C1=CC=CC(CCC#N)=C1
Synonyms	95096-06-3, 3-(3-(trifluoromethyl)phenyl)propanenitrile, 3-[3-(trifluoromethyl)phenyl]propanenitrile, 3-(3-Trifluoromethyl-phenyl)-propionitrile, 3-[3-(Trifluoromethyl)phenyl]-propanenitrile, Benzenepropanenitrile, 3-(trifluoromethyl)-, SCHEMBL1833487, CTK5H7396, DTXSID40440340, ZINC2540452, ZX-AP001472, 6338AC, ANW-65718, KM3329, MFCD04973009, PC8987, SBB055213, AKOS010643845, FCH4860086, PS-8230, KS-00003R83, 3-(3'-Trifluoromethylphenyl)propionitrile, AJ-39085, AN-34901, BBV-32862644, AX8083372, TC-154463, ST50949913, 096T063, I14-8770, C10H8F3N, CID10465355, A11128,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.061g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.176g/mol
Monoisotopic Mass	199.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H319-H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P280-P301+P310+P330-P305+P351+P338-P337+P313-P405-P501
UN Code	UN 2810

Certificate of Analysis

Lot Number