AG003H8M

239087-10-6 | 2-(2-Fluoro-3-(trifluoromethyl)phenyl)acetonitrile

AG003H8M

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CAS Number	239087-10-6
Catalog Number	AG003H8M(AGN-PC-0KK8MO)
Chemical Name	2-(2-Fluoro-3-(trifluoromethyl)phenyl)acetonitrile
IUPAC Name	2-[2-fluoro-3-(trifluoromethyl)phenyl]acetonitrile
InChI	InChI=1S/C9H5F4N/c10-8-6(4-5-14)2-1-3-7(8)9(11,12)13/h1-3H,4H2
InChI Key	VUUVDTMSSVKPDJ-UHFFFAOYSA-N
MDL Number	MFCD00061178
Molecular Formula	C9H5F4N
Molecular Weight	203.1363
SMILES	N#CCC1=CC=CC(C(F)(F)F)=C1F
Synonyms	239087-10-6, 2-Fluoro-3-(trifluoromethyl)phenylacetonitrile, 2-(2-Fluoro-3-(trifluoromethyl)phenyl)acetonitrile, 2-fluoro-3-trifluoromethylbenzyl cyanide, 2-[2-fluoro-3-(trifluoromethyl)phenyl]acetonitrile, 2-fluoro-3-(trifluoromethyl)-phenylacetonitrile, 2-[2-fluoro-3-(trifluoromethyl)phenyl]ethanenitrile, ACMC-20anvk, PubChem23175, AC1MC7JR, AC1Q4L3L, SCHEMBL5081797, CTK4F2549, DTXSID90372167, PC4377E, ATTERCOP-CHM AT118403, JRD-0590, KS-00003R7Q, ZINC2600095, ZX-AP001024, 8076AD, MFCD00061178, SBB093070, AKOS015854285, AS02363, FCH1320839, MCULE-7735920653, PS-8164, RTR-011074, VZ34672, 3-(Cyanomethyl)-2-fluorobenzotrifluoride, AN-29367, FT-0676183, ST51041527, Y-9833, (2-fluoro-3-trifluoromethyl-phenyl)-acetonitrile, [2-fluoro-3-(trifluoromethyl)phenyl]acetonitrile, 087F106, Benzeneacetonitrile,2-fluoro-3-(trifluoromethyl)-, C-47012, Benzeneacetonitrile, 2-fluoro-3-(trifluoromethyl)-, J-509359, 2-Fluoro-3-(trifluoromethyl)phenylacetonitrile, 97%, I14-29780, 2 - (2 - Fluoro - 3 - (trifluoromethyl)phenyl)acetonitrile, C9H5F4N, ZINC02600095, 2-FLUORO-3- PHENYLACETONITRILE, CID2737596, 2-Fluoro-3-(trifluoromethyl)-benzeneacetonitrile,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.036g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.14g/mol
Monoisotopic Mass	203.036g/mol
Rotatable Bond Count	1
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	H301-H311-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338-P311
UN Code	UN 2810

Certificate of Analysis

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