AG003J83

75279-56-0 | 2-(2-Chloro-4-fluorophenyl)acetonitrile

AG003J83

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CAS Number	75279-56-0
Catalog Number	AG003J83(AGN-PC-0KK0KF)
Chemical Name	2-(2-Chloro-4-fluorophenyl)acetonitrile
IUPAC Name	2-(2-chloro-4-fluorophenyl)acetonitrile
InChI	InChI=1S/C8H5ClFN/c9-8-5-7(10)2-1-6(8)3-4-11/h1-2,5H,3H2
InChI Key	GSMCLMKFBYLWRP-UHFFFAOYSA-N
MDL Number	MFCD00236029
Molecular Formula	C8H5ClFN
Molecular Weight	169.5834
SMILES	C1=CC(=CC(=C1CC#N)Cl)F
Synonyms	75279-56-0, 2-Chloro-4-fluorophenylacetonitrile, 2-Chloro-4-fluorobenzyl cyanide, 2-(2-chloro-4-fluorophenyl)acetonitrile, 2-Chloro-4-fluorobenzylcyanide, (2-chloro-4-fluorophenyl)acetonitrile, Benzeneacetonitrile, 2-chloro-4-fluoro-, 2-Chloro-fluorophenylacetonitrile, MFCD00236029, 2-(2-chloro-4-fluorophenyl)ethanenitrile, 2 - Chloro - 4 - fluorophenylacetonitrile, PubChem4251, ACMC-209oxq, AC1MBG2U, AC1Q4LNH, AC1Q4LNI, SCHEMBL155498, CTK5E1368, KS-00000EIC, TIMTEC-BB SBB005761, DTXSID10369352, ATTERCOP-CHM AT109997, GSMCLMKFBYLWRP-UHFFFAOYSA-N, EBD10776, JRD-1965, ZINC2560066, 2-chloro-4-fluorobenzeneacetonitrile, ANW-36588, BBL100038, SBB005761, STL511016, WT1752, 2-chloro-4-fluoro phenyl acetonitrile, AKOS000158906, AS01678, Benzeneacetonitrile,2-chloro-4-fluoro-, BH-0430, MCULE-6987005326, PF10740, RP23185, TRA0095802, VZ24249, (2-chloro-4-fluoro-phenyl)-acetonitrile, AC-12384, AJ-40447, AK-45300, AN-37030, BR-45300, CJ-09512, SC-06631, 2-(2-chloro-4-fluoro-phenyl)acetonitrile, AB0030017, DB-024235, ST2409275, TR-024229, AM20060013, FT-0611773, ST50405174, X2195, EN300-67471, M-6470, 2-chloro-4-fluorophenylacetonitrile, AldrichCPR, 75279-56-0 2-Chloro-4-fluorobenzyl cyanide, I01-5505, J-508741, Z1258943330, 2-Chloro-4-fluorobenzyl cyanide; (2-chloro-4-fluoro-phenyl)-acetonitrile; (2-chloro-4-fluorophenyl)acetonitrile; benzeneacetonitrile, 2-chloro-4-fluoro-, C8H5ClFN, 3-Chloro-4-Fluorophenylacetonitrile, ZINC02560066, CID2725063, 2-Chloro-4-fluorophenylacetonitrile, 97% 5g,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.583g/mol
Monoisotopic Mass	169.009g/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-H332
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3439

Certificate of Analysis

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