AG003G4L

654-01-3 | 2-(2,6-Difluorophenyl)acetonitrile

AG003G4L

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CAS Number	654-01-3
Catalog Number	AG003G4L(AGN-PC-0JL93V)
Chemical Name	2-(2,6-Difluorophenyl)acetonitrile
EC Number	211-504-7
IUPAC Name	2-(2,6-difluorophenyl)acetonitrile
InChI	InChI=1S/C8H5F2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChI Key	GVAYBGQTAADLJS-UHFFFAOYSA-N
MDL Number	MFCD00009973
Molecular Formula	C8H5F2N
Molecular Weight	153.1288
SMILES	N#CCC1=C(F)C=CC=C1F
Synonyms	2,6-Difluorophenylacetonitrile, 654-01-3, 2-(2,6-difluorophenyl)acetonitrile, 2,6-difluorobenzyl cyanide, (2,6-Difluorophenyl)acetonitrile, 2,6-DIFLUOROBENZENEACETONITRILE, Benzeneacetonitrile, 2,6-difluoro-, GVAYBGQTAADLJS-UHFFFAOYSA-N, 2-(2,6-difluorophenyl)ethanenitrile, MFCD00009973, EINECS 211-504-7, PubChem4152, ACMC-1AXNW, N-Dodecyl-beta-maltoside, AC1Q4MUS, AC1L2C5B, AC1Q4O1W, KSC493O7R, SCHEMBL1008876, CTK3J3778, KS-00000EIR, TIMTEC-BB SBB006682, DTXSID50215708, 3,5-dichloro-4-fluronitrobenzene, ZINC409205, ACT04265, JRD-0487, (2,6-difluoro-phenyl)-acetonitrile, 2,6-Difluorophenylacetonitrile 98%, ANW-56450, SBB006682, WT1749, 2,6-Difluorophenylacetonitrile, 96%, 2-(2,6-difluorophenyl) acetonitrile, AKOS005257320, AC-9787, AS01965, CS-W008404, MCULE-7502522250, PF10729, PS-8908, RL04487, RTR-033195, TRA0038615, 654-01-3 2,6-difluorobenzyl cyanide, AJ-22676, AK-36001, AN-47099, BR-36001, CJ-04182, SC-06090, ZB013868, AB0021092, DB-024191, TR-033195, AM20040962, D4510, FT-0610652, ST24027457, ST50824383, V2278, V2282, A21808, M-5749, J-500605, C8H5F2N, C8-H5-F2-N, CID69559, AR-1D4881, C24H46O11, ZINC00409205, 2,6-Difluorophenylacetonitrile, 98% - 25G 25g, 6784-61-8, 69227-93-6,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.039g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.132g/mol
Monoisotopic Mass	153.039g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number