AG002MH7

231953-38-1 | Benzonitrile, 3-fluoro-4-(trifluoromethyl)-

AG002MH7

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CAS Number	231953-38-1
Catalog Number	AG002MH7(AGN-PC-0KK8LG)
Chemical Name	Benzonitrile, 3-fluoro-4-(trifluoromethyl)-
IUPAC Name	3-fluoro-4-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H
InChI Key	CFPNGJCBTZAVDN-UHFFFAOYSA-N
MDL Number	MFCD00236280
Molecular Formula	C8H3F4N
Molecular Weight	189.1097
SMILES	N#CC1=CC=C(C(F)(F)F)C(F)=C1
Synonyms	3-Fluoro-4-(trifluoromethyl)benzonitrile, 231953-38-1, 3-Fluoro-4-trifluoromethylbenzonitrile, 4-Cyano-2-fluorobenzotrifluoride, Benzonitrile, 3-fluoro-4-(trifluoromethyl)-, MFCD00236280, 3-fluoro-4-(trifluoromethyl)benzenecarbonitrile, ALPHA,ALPHA,ALPHA,3-TETRAFLUORO-P-TOLUNITRILE, PubChem4800, ACMC-1CQ1L, Intermediates-ZCF02625, AC1MC7H7, KSC495O7J, SCHEMBL1727083, CTK3J5774, KS-00000FCO, DTXSID60372134, CFPNGJCBTZAVDN-UHFFFAOYSA-N, WT144, ACT12405, BCP05897, JRD-0544, ZINC2560174, ANW-48215, SBB064375, AKOS005257984, AC-4094, ACN-053245, AF10027, AM61412, AN-2148, AS01695, CM13115, LS10255, MCULE-5746905123, PS-8418, RP24880, RTC-020067, TRA0030025, VZ26793, 3-fluoro-4-trifluoromethyl-benzonitrile, AJ-40492, AK-34250, BR-34250, CJ-09526, SC-02691, SY014548, 3-fluoro-4-(trifluoromethyl) benzonitrile, AB0031262, ST2405075, TC-020067, TL8001932, 4CH-002552, F1019, FT-0615680, ST50407399, X4279, MFCD00236280 (95%), S-1893, I01-4722, J-512476, 231953-38-1 3-fluoro-4-(trifluoromethyl)benzonitrile, C8H3F4N, 2-Cyano-4-fluorobenzotrifluoride, ZINC02560174, CID2737550, 5-fluoro-2-(trifluoromethyl)benzonitrile, ALPHA,ALPHA,ALPHA,5-TETRAFLUORO-O-TOLUNITRILE, 3-Fluoro-4-(trifluoromethyl)benzonitrile, 97% - 1G 1g,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.02g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.113g/mol
Monoisotopic Mass	189.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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