AG003LG2

459-22-3 | 4-Fluorophenylacetonitrile

AG003LG2

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WARNING This product is not for human or veterinary use.

CAS Number	459-22-3
Catalog Number	AG003LG2(AGN-PC-0JL874)
Chemical Name	4-Fluorophenylacetonitrile
EC Number	207-286-8
IUPAC Name	2-(4-fluorophenyl)acetonitrile
InChI	InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChI Key	JHQBLYITVCBGTO-UHFFFAOYSA-N
MDL Number	MFCD00001917
Molecular Formula	C8H6FN
Molecular Weight	135.1383
NSC Number	60739
SMILES	C1=C(C=CC(=C1)F)CC#N
Synonyms	4-Fluorophenylacetonitrile, 459-22-3, 4-Fluorobenzyl cyanide, p-Fluorobenzyl cyanide, 4-Fluorobenzylcyanide, Benzeneacetonitrile, 4-fluoro-, 4-Fluorobenzeneacetonitrile, 2-(4-fluorophenyl)acetonitrile, p-Fluorophenylacetonitrile, (p-Fluorophenyl)acetonitrile, Acetonitrile, (p-fluorophenyl)-, (4-fluorophenyl)acetonitrile, 4-fluorobenzylnitrile, MFCD00001917, EINECS 207-286-8, NSC 60739, 4-fluorophenyl acetonitrile, BRN 1907764, 2-(4-fluorophenyl)ethanenitrile, 4-Fluorophenylacetonitrile, 99%, JHQBLYITVCBGTO-UHFFFAOYSA-N, PubChem4169, ACMC-1ADYF, AC1Q4MDC, AC1Q4MDD, AC1Q4NQE, 4-Fluorophenyl-acetonitrile, AC1L28UK, para-Fluorophenylacetonitrile, 4-fluoro phenyl acetonitrile, 4-fluoro-phenyl-acetonitrile, SCHEMBL37742, 4-09-00-01673 (Beilstein Handbook Reference), KSC237G9T, (4-Fluoro-phenyl)-acetonitrile, DTXSID8060030, CTK1D7399, JHQBLYITVCBGTO-UHFFFAOYSA-, 4-Fluorophenylacetic acid nitrile, OTAVA-BB 1519437, 2-(4-fluoro-phenyl)-acetonitrile, BDBM113774, HMS1719G04, ZINC388043, ACT12851, KS-00000JE9, NSC60739, ANW-30368, NSC-60739, SBB063691, AKOS000200425, AB00175, AN-1555, AS01640, CM13705, MCULE-2962869040, PS-9131, RP20200, RTR-033233, SF10010, TRA0077791, VZ29088, AC-26163, AJ-20398, AK-46633, BR-46633, CJ-03087, LS-13270, SC-04690, ZB011241, DB-028895, TR-033233, AM20061087, F0258, FT-0618556, ST24029108, EN300-18725, A21996, M-5925, I01-2599, W-106112, 2‐(4‐fluorophenyl)acetonitrile (6), F0001-1242, (p-fluorophenyl)-acetonitril;4-Fluorophenylaceticacidnitrile, InChI=1/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2, C8H6FN, C8-H6-F-N, KST-1A5022, CID68016, AR-1A7769, 1-(4-fluorophenyl)cyclopropanecarbonitrile, 4-Fluorophenylacetonitrile, 99% - 100G 100g, 492-13-7, 59-22-3,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.048g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	135.141g/mol
Monoisotopic Mass	135.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code	UN 3276

Certificate of Analysis

Lot Number