AG002YI3

2947-61-7 | Benzeneacetonitrile, 4-methyl-

AG002YI3

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CAS Number	2947-61-7
Catalog Number	AG002YI3(AGN-PC-0JLPX3)
Chemical Name	Benzeneacetonitrile, 4-methyl-
EC Number	220-963-2
IUPAC Name	2-(4-methylphenyl)acetonitrile
InChI	InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3
InChI Key	RNHKXHKUKJXLAU-UHFFFAOYSA-N
MDL Number	MFCD00001922
Molecular Formula	C9H9N
Molecular Weight	131.1745
SMILES	C1=CC(=CC=C1CC#N)C
Synonyms	4-Methylbenzyl cyanide, 2947-61-7, 4-Methylphenylacetonitrile, p-Tolylacetonitrile, 2-(4-methylphenyl)acetonitrile, p-Methylbenzyl cyanide, Benzeneacetonitrile, 4-methyl-, 2-p-tolylacetonitrile, (4-methylphenyl)acetonitrile, 4-Methylbenzeneacetonitrile, 4-Methylbenzylcyanide, 2-(p-tolyl)acetonitrile, p-Xylyl cyanide, p-Methylphenylacetonitrile, 4-Methylbenzyl cyanide, 98%, 2-(4-methylphenyl)ethanenitrile, RNHKXHKUKJXLAU-UHFFFAOYSA-N, MFCD00001922, P-Tolyacetonitrile, 4-Methylphenyl acetonitrile, a-Cyano-p-xylene, 4-Tolylacetonitrile, EINECS 220-963-2, p-tolyl acetonitrile, p-tolyl-acetonitrile, alpha-Cyano-p-xylene, 4-Methyl benzylcyanide, ACMC-1COSK, AC1L2QKA, 2-(p-tolyl)-acetonitrile, 4-Methylphenyl-acetonitrile, AC1Q2LV8, KSC492G6D, SCHEMBL247479, AC1Q4S35, CTK3J2361, KS-00000EDV, RNHKXHKUKJXLAU-UHFFFAOYSA-, DTXSID90183674, ZINC2242671, ANW-51062, SBB063995, STL164352, WT1760, AKOS000162057, AN-9223, AS01373, AS06119, CM13728, CS-W020586, GS-3076, MCULE-5698877136, RP19966, RTC-062350, TRA0039590, 2947-61-7 4-methylphenylacetonitrile, AC-16937, AJ-34161, AK-46578, BC205621, BR-46578, CJ-07965, L751, SC-22382, AB0014866, DB-000241, ST2411541, TC-062350, A5496, AM20061229, FT-0634575, ST51016220, AZ0001-0342, EN300-39119, M-4951, I01-3578, J-017537, J-515777, F0001-0913, Z1245664657, InChI=1/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3, Tolylacetonitrile, Acetonitrile, p-tolyl-, C9H9N, C9-H9-N, CID76280, 4-Methylbenzyl cyanide, 97% - 25G 25g, X0047,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.073g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.178g/mol
Monoisotopic Mass	131.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H331-H335-H319
Packing Group
Precautionary statements	P261-P280-P304+P340-P405-P501a-P305+P351+P338
UN Code	\N

Certificate of Analysis

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