AG00I80D

4088-84-0 | Benzonitrile, 2-fluoro-5-(trifluoromethyl)-

AG00I80D

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CAS Number	4088-84-0
Catalog Number	AG00I80D(AGN-PC-0JS9ST)
Chemical Name	Benzonitrile, 2-fluoro-5-(trifluoromethyl)-
IUPAC Name	2-fluoro-5-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F4N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H
InChI Key	LCLVMSCLLULGRY-UHFFFAOYSA-N
MDL Number	MFCD00061280
Molecular Formula	C8H3F4N
Molecular Weight	189.1097
SMILES	C1=C(C=CC(=C1C#N)F)C(F)(F)F
Synonyms	2-Fluoro-5-(trifluoromethyl)benzonitrile, 4088-84-0, 2-fluoro-5-trifluoromethylbenzonitrile, 3-cyano-4-fluorobenzotrifluoride, MFCD00061280, Benzonitrile, 2-fluoro-5-(trifluoromethyl)-, alpha,alpha,alpha,6-Tetrafluoro-m-tolunitrile, LCLVMSCLLULGRY-UHFFFAOYSA-N, 2-fluoro-5-(trifluoromethyl)benzenecarbonitrile, PubChem2739, AC1LAV0C, KSC583S5H, SCHEMBL283060, 3-cyano-4-fluorotrifluorotoluene, CTK4I3953, KS-00000FCM, DTXSID40334533, ACT00584, JRD-0086, ZINC4264917, ANW-51684, SBB064081, WT1798, AKOS005255560, AC-4092, ACN-049185, AS01693, CM13113, CS-W008057, DS-0869, MCULE-2930269811, PF10283, PS-8421, RP24878, RTC-062375, VZ24590, 2-fluoro-5-trifluoromethyl-benzonitrile, AJ-49939, AK-35085, AN-12287, BR-35085, CJ-11765, I221, SC-46497, 2-fluoro-5-(trifluoromethyl)-benzonitrile, AB0013554, Benzonitrile,2-fluoro-5-(trifluoromethyl)-, DB-024013, TC-062375, 2-Cyano-1-fluoro-4-(trifluoromethyl)benzene, AM20060081, F0860, FT-0081739, FT-0612348, ST24028016, ST50407116, J3.600.731A, 3-Cyano-alpha,alpha,alpha,4-tetrafluorotoluene, M-7168, Z-8074, 179331-EP2277858A1, 4088-84-0 2-fluoro-5-trifluoromethylbenzonitrile, J-509469, 2-Fluoro-5-(trifluoromethyl)benzonitrile, AldrichCPR, 2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID, NITRILE, C8H3F4N, CID521016, ZINC04264917, A6814, 2-Fluoro-5-(trifluoromethyl)benzonitrile, 98% - 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
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number