AG00E8NT

5724-56-1 | 2,3-Dimethylbenzonitrile

AG00E8NT

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CAS Number	5724-56-1
Catalog Number	AG00E8NT(AGN-PC-0WA5MX)
Chemical Name	2,3-Dimethylbenzonitrile
EC Number	227-229-0
IUPAC Name	2,3-dimethylbenzonitrile
InChI	InChI=1S/C9H9N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,1-2H3
InChI Key	ZEDPQIJYJCPIRM-UHFFFAOYSA-N
MDL Number	MFCD00019744
Molecular Formula	C9H9N
Molecular Weight	131.1745
SMILES	N#CC1=CC=CC(C)=C1C
UNII	6S215F38OK
Synonyms	2,3-Dimethylbenzonitrile, 5724-56-1, 3-Cyano-o-xylene, Benzonitrile, 2,3-dimethyl-, UNII-6S215F38OK, BRN 1932620, 2,3-Dimethylbenzonitril [German], EINECS 227-229-0, 6S215F38OK, MFCD00019744, 2,3-dimethylbenzenecarbonitrile, 2,3-Dimethylbenzonitril, PubChem8125, Benzonitrile, dimethyl-, Medetomidine Impurity 11, AC1Q4RH5, ACMC-1AQ07, KSC216E6D, SCHEMBL102574, 2,3-Dimethylbenzonitrile 98%, AC1L2Y66, CTK1B6261, KS-00000FRP, ZEDPQIJYJCPIRM-UHFFFAOYSA-, DTXSID80205854, ZEDPQIJYJCPIRM-UHFFFAOYSA-N, ZINC2163451, ANW-24851, SBB064687, AKOS009158528, AS02593, CS-W011100, DS-1854, RTR-020001, AJ-33725, AK-86884, CJ-33182, LS-38695, SC-46427, SY022603, AB0030569, DB-019787, TR-020001, 4CH-007086, D4293, FT-0609711, ST24027287, ST50409830, X2774, MFCD00019744 (97%), M-6757, I01-5455, InChI=1/C9H9N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,1-2H3, 36541-24-9, o-Xylyl cyanide, dimethylbenzonitrile, C9H9N, C9-H9-N, CID79802, AR-1D2690, 4-09-00-01798 (Beilstein Handbook Reference), 22364-68-7, 5894-55-3,

Complexity	153
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	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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