AG003IK8

85068-32-2 | 2-(3,5-Bis(trifluoromethyl)phenyl)acetonitrile

AG003IK8

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CAS Number	85068-32-2
Catalog Number	AG003IK8(AGN-PC-0JTMX5)
Chemical Name	2-(3,5-Bis(trifluoromethyl)phenyl)acetonitrile
EC Number	285-294-0
IUPAC Name	2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
InChI	InChI=1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2
InChI Key	YXGWYBUKRTYHJM-UHFFFAOYSA-N
MDL Number	MFCD00009904
Molecular Formula	C10H5F6N
Molecular Weight	253.1438
SMILES	N#CCC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
Synonyms	85068-32-2, 3,5-Bis(trifluoromethyl)phenylacetonitrile, 2-(3,5-bis(trifluoromethyl)phenyl)acetonitrile, 3,5-Bis(trifluoromethyl)benzyl Cyanide, 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile, 3,5-di(trifluoromethyl)benzyl cyanide, 3,5-Bis(trifluoromethyl)-phenylacetonitrile, (3,5-Bis(trifluoromethyl)phenyl)acetonitrile, [3,5-bis(trifluoromethyl)phenyl]acetonitrile, Benzeneacetonitrile, 3,5-bis(trifluoromethyl)-, YXGWYBUKRTYHJM-UHFFFAOYSA-N, MFCD00009904, 3,5-bis(trifluoromethyl)benzylcyanide, 2-[3,5-bis(trifluoromethyl)phenyl]ethanenitrile, EINECS 285-294-0, PubChem2733, AC1LCO2A, ACMC-209q3p, KSC495S7P, SCHEMBL624792, CTK3J5977, KS-00000WFF, DTXSID50234136, PC3114G, ZINC120203, ZX-AP000534, ANW-38099, BBL101987, SBB064121, STL555784, WT1762, AKOS015852933, AN-6199, AS01677, MCULE-1966018886, PS-7441, RTC-062357, VZ25661, 3,5-di(trifluoro methyl)benzyl cyanide, AC-13884, AJ-11675, AK-53975, CC-13383, N656, SY021815, ZB004079, 3,5-bis-trifluoromethyl-phenylacetonitrile, 3,5-Bis(trifluoromethyl)benzeneacetonitrile, AB0015948, AX8012485, DB-021986, TC-062357, (3,5-bis-trifluoromethylphenyl)-acetonitrile, B2911, FT-0614472, ST24027495, ST50306982, MFCD00009904 (95%), C-4833, 3,5-Bis(trifluoromethyl)phenylacetonitrile, 98%, 068B322, C-15639, 85068-32-2 3,5-di(trifluoromethyl)benzyl cyanide, 5-(Cyanomethyl)-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene, 3,5-Bis phenylacetonitrile, C10H5F6N, C10-H5-F6-N, CID603657, ZINC00120203, D1164, 3,5-Bis(trifluoromethyl)phenylacetonitrile, 97% - 1g 1g,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.033g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.147g/mol
Monoisotopic Mass	253.033g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number