AG003KB0

332-25-2 | 4-(Trifluoromethoxy)benzonitrile

AG003KB0

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CAS Number	332-25-2
Catalog Number	AG003KB0(AGN-PC-0JL7XB)
Chemical Name	4-(Trifluoromethoxy)benzonitrile
EC Number	206-363-3
IUPAC Name	4-(trifluoromethoxy)benzonitrile
InChI	InChI=1S/C8H4F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H
InChI Key	XWHIXOMWXCHJPP-UHFFFAOYSA-N
MDL Number	MFCD00039474
Molecular Formula	C8H4F3NO
Molecular Weight	187.1187
SMILES	N#CC1=CC=C(OC(F)(F)F)C=C1
Synonyms	4-(Trifluoromethoxy)benzonitrile, 332-25-2, Benzonitrile, 4-(trifluoromethoxy)-, 4-Trifluoromethoxybenzonitrile, p-trifluoromethoxybenzonitrile, p-cyanotrifluoromethoxybenzene, p-(trifluoromethoxy)benzonitrile, XWHIXOMWXCHJPP-UHFFFAOYSA-N, MFCD00039474, ncr doxfff, 4-(trifluoromethoxy)benzenecarbonitrile, EINECS 206-363-3, PubChem4826, ACMC-1COCO, AC1L27YE, AC1Q4KH5, KSC493M2D, SCHEMBL201174, 4-trifluoromethoxy-benzonitrile, Jsp006102, DTXSID5073163, CTK3J3621, p-Cyanophenyl trifluoromethyl ether, ZINC167112, 4-cyanophenyl trifluoromethyl ether, ACT12428, JRD-0211, KS-00000EH7, 1-cyano-4-(trifluoromethoxy)benzene, ANW-27577, BBL027942, MFCD00511903, SBB063126, STK801380, AKOS000266709, 4-(Trifluoromethoxy)benzonitrile, 98%, AF10016, AM61474, AS01715, LS10252, MCULE-5480306495, PS-8460, RL03212, RTR-033180, TRA0032616, AC-17046, AJ-16591, AK-88416, AN-44353, CJ-02359, L578, SC-47010, ZB008743, AB0014783, DB-023904, TL8002513, TR-033180, A1649, CS-0043121, FT-0081768, FT-0616881, ST24028852, ST50405154, A22228, S-8072, I01-0494, W-106782, 4-(trifluoromethoxy)benzonitrile;1-Cyano-4-(trifluoromethoxy)benzene, 4- BENZONITRILE, C8H4F3NO, 3-(Trifluoromethoxy)benzylamine, m-trifluoromethoxybenzyl amine, C8-H4-F3-N-O, CID67621, AR-1K6621, 4-(2,2,2-trifluoroethoxy)benzonitrile, T2292, 4-(Trifluoromethoxy)benzonitrile, 98% - 1G 1g, 93071-75-1, 4858-96-2, 56935-76-3,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.121g/mol
Monoisotopic Mass	187.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number