AG0033J1

27126-93-8 | 3,5-Bis(trifluoromethyl)benzonitrile

AG0033J1

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CAS Number	27126-93-8
Catalog Number	AG0033J1(AGN-PC-0JM23P)
Chemical Name	3,5-Bis(trifluoromethyl)benzonitrile
EC Number	248-240-7
IUPAC Name	3,5-bis(trifluoromethyl)benzonitrile
InChI	InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H
InChI Key	CZKHHAOIHXHOSR-UHFFFAOYSA-N
MDL Number	MFCD00000379
Molecular Formula	C9H3F6N
Molecular Weight	239.1172
NSC Number	88316
SMILES	FC(C=1C=C(C#N)C=C(C1)C(F)(F)F)(F)F
Synonyms	3,5-Bis(trifluoromethyl)benzonitrile, 27126-93-8, 3,5-di(Trifluoromethyl)benzonitrile, MBT-CN, Bis(3,5-trifluoromethyl)benzonitrile, MFCD00000379, Benzonitrile, 3,5-bis(trifluoromethyl)-, 3,5-bistrifluoromethylbenzonitrile, CZKHHAOIHXHOSR-UHFFFAOYSA-N, 3,5-bis-(Trifluoromethyl)benzonitrile, AK-42786, 3,5-bis(trifluoromethyl)benzenecarbonitrile, W-107129, fxffr ccn exfff, NSC88316, EINECS 248-240-7, PubChem4691, 3,5-Bis(tifluoromethyl)-1-cyanobenzene, AC1Q4JII, ACMC-209gv5, AC1L3X4R, NCIOpen2_005426, KSC495G4H, SCHEMBL1334073, Jsp005279, CTK3J5343, CZKHHAOIHXHOSR-UHFFFAOYSA-, KS-00000EHB, DTXSID80181588, ZINC155235, 3,5-bis(trifluoromethyl)benzonitnle, ACN-S004596, ACT00781, ZX-AP004379, ANW-26127, NSC-88316, PC3100, SBB063337, WT1800, WT2180, 3, 5-Bis(trifluoromethyl)benzonitrile, 3,5-bis(trifluoromethyl)-benzonitrile, AKOS005259554, AC-4023, AF10039, AS01615, CB-2044, MCULE-8989600526, PB30519, PS-7604, RP28363, RTC-062376, TRA0053347, 3,5-bis-(trifluoromethyl)-benzonitrile, 1-Cyano-3,5-bis(trifluoromethyl)benzene, 3,5-Bis(trifluoromethyl)-1-cyanobenzene, AJ-13477, AN-12360, CC-13359, CJ-01407, L440, SC-45987, ZB005992, AB0014705, AX8011443, BC1672415, DB-023861, ST2404609, TC-062376, TL8002188, 4CH-000885, A5290, AM20040066, FT-0081797, FT-0614457, ST50307057, EN300-111825, M-1736, 27126-93-8 3,5-di(trifluoromethyl)benzonitrile, C-14262, 27126-93-8 3,5-Bis(trifluoromethyl)benzonitrile, I01-1350, InChI=1/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H, 6-bromopyridin-2-ol, C9H3F6N, C9-H3-F6-N, CID96746, AR-1J1091, B1896, D1144, A15448, 3,5-Bis(trifluoromethyl)benzonitrile, 98% - 1G 1g, 27992-32-1,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.017g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.12g/mol
Monoisotopic Mass	239.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

Lot Number