AG002YI4

2947-60-6 | Benzeneacetonitrile, 3-methyl-

AG002YI4

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CAS Number	2947-60-6
Catalog Number	AG002YI4(AGN-PC-0JLPX2)
Chemical Name	Benzeneacetonitrile, 3-methyl-
EC Number	220-962-7
IUPAC Name	2-(3-methylphenyl)acetonitrile
InChI	InChI=1S/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3
InChI Key	WOJADIOTNFDWNQ-UHFFFAOYSA-N
MDL Number	MFCD00001914
Molecular Formula	C9H9N
Molecular Weight	131.1745
NSC Number	20695
SMILES	C(C#N)c1cc(C)ccc1
Synonyms	2947-60-6, 2-(3-methylphenyl)acetonitrile, 3-Methylbenzyl cyanide, m-Tolylacetonitrile, m-Methylphenylacetonitrile, m-Xylyl cyanide, 3-Methylphenylacetonitrile, 3-Methylbenzylcyanide, m-Methylbenzyl cyanide, 2-(m-tolyl)acetonitrile, (3-methylphenyl)acetonitrile, Benzeneacetonitrile, 3-methyl-, 2-m-tolylacetonitrile, MFCD00001914, NSC 20695, 2-(3-methylphenyl)ethanenitrile, WOJADIOTNFDWNQ-UHFFFAOYSA-N, M-Tolyacetonitrile, 3-Tolylacetonitrile, EINECS 220-962-7, ACMC-20agya, 3-methyl benzylcyanide, 3-methyl-benzyl cyanide, AC1Q2NGL, 3-methyl-benzeneacetonitrile, AC1L2QK7, AC1Q4S3Q, Benzeneacetonitrile,3-methyl-, (3-methylphenyl)-acetonitrile, 1-methyl-3-cyanomethylbenzene, SCHEMBL625612, 3-Methylbenzyl cyanide, 98%, Jsp005602, CTK4G3378, DTXSID30183673, ATTERCOP-CHM AT109919, OTAVA-BB 1287074, NSC20695, ZINC1571183, ANW-72896, NSC-20695, SBB068545, STL168033, AKOS000154017, AS01378, CS-W005445, FS-4421, MCULE-4559612799, VZ36233, AC-16936, AJ-27211, BP-11282, BR-48122, CJ-05401, CJ-24743, L552, SC-45045, AB0014769, DB-047589, RT-000548, ST2416082, A5495, FT-0628959, AZ0001-0328, M-7211, 947T606, A819927, A820305, I14-7343, J-017536, Z1245735304, (m-Methylphenyl)acetonitrile, C9H9N, C9-H9-N, KST-1A3613, CID76279, AR-1A4248, X0046, 30299-08-2,

Complexity	142
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	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
Signal Words	danger
UN Code	UN 3276

Certificate of Analysis

Lot Number