AG00331W

6575-13-9 | 2,6-Dimethylbenzonitrile

AG00331W

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CAS Number	6575-13-9
Catalog Number	AG00331W(AGN-PC-0JLT00)
Chemical Name	2,6-Dimethylbenzonitrile
EC Number	229-503-5
IUPAC Name	2,6-dimethylbenzonitrile
InChI	InChI=1S/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3
InChI Key	QSACPWSIIRFHHR-UHFFFAOYSA-N
MDL Number	MFCD00037166
Molecular Formula	C9H9N
Molecular Weight	131.1745
NSC Number	98304
SMILES	N#Cc1c(cccc1C)C
UNII	1ZH37S5B0Z
Synonyms	2,6-Dimethylbenzonitrile, 6575-13-9, Benzonitrile, 2,6-dimethyl-, UNII-1ZH37S5B0Z, 2-Cyano-m-xylene, 1ZH37S5B0Z, QSACPWSIIRFHHR-UHFFFAOYSA-N, MFCD00037166, 2,6-dimethylbenzenecarbonitrile, 2,6-Dimethylbenzonitrile, 99%, 2,6-Dimethyl-Benzonitrile, NSC98304, EINECS 229-503-5, NSC 98304, AC1L30IU, AC1Q2NA5, AC1Q4R7N, NCIOpen2_001819, KSC494C5T, SCHEMBL102473, ACMC-209h97, CTK3J4159, KS-00000EHH, 2,6-DIMETHYLBENZ0NITRILE, DTXSID20215957, ACN-S004013, ZINC1638478, ANW-26633, NSC-98304, SBB079382, WT1771, AKOS006230220, CS-W011101, GS-3493, MCULE-4175130338, RP19973, RTC-062360, TRA0047406, VZ22983, 6575-13-9 2,6-dimethylbenzonitrile, AJ-28534, AK-36013, BR-36013, CJ-05859, CJ-26384, SC-42910, SY016154, AB0030022, AB1004075, DB-020237, ST2415957, TC-062360, AM20060906, D4927, FT-0636186, ST50409492, X2201, A19028, M-6679, MFCD00037166 (97+%), AE-641/00671031, J-507510, I01-13636, InChI=1/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H, null, m-Xylyl cyanide, C9H9N, C9-H9-N, CID81057, AR-1D4996, 2947-60-6, 67939-23-5,

Complexity	143
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number