AG0020TX

175277-98-2 | Benzonitrile, 2,4-dichloro-6-methyl-

AG0020TX

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CAS Number	175277-98-2
Catalog Number	AG0020TX(AGN-PC-0KLBFZ)
Chemical Name	Benzonitrile, 2,4-dichloro-6-methyl-
IUPAC Name	2,4-dichloro-6-methylbenzonitrile
InChI	InChI=1S/C8H5Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,1H3
InChI Key	NFPYAMXNKNDVDS-UHFFFAOYSA-N
MDL Number	MFCD00052865
Molecular Formula	C8H5Cl2N
Molecular Weight	186.0380
SMILES	CC1=CC(Cl)=CC(Cl)=C1C#N
Synonyms	2,4-dichloro-6-methylbenzonitrile, 175277-98-2, MFCD00052865, Benzonitrile,2,4-dichloro-6-methyl-, ACMC-20aodn, AC1MCU8C, 4,6-Dichloro-o-tolunitrile, SCHEMBL967389, CTK4D5835, KS-00000XCH, DTXSID50384201, NFPYAMXNKNDVDS-UHFFFAOYSA-N, ZINC167067, ZX-AT029137, 2,4-dichloro-6-methyl-benzonitrile, 9169AA, AKOS015908704, Benzonitrile, 2,4-dichloro-6-methyl-, FCH1117322, LS11642, MCULE-8321849969, 4,6-dichloro-2-methylbenzenecarbonitrile, ACM175277982, AJ-16582, TS-00231, AX8066712, RT-006790, CS-0038544, FT-0610026, ST50408250, I14-34738, C8H5Cl2N, ZINC00167067, CID2800965,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.98g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.035g/mol
Monoisotopic Mass	184.98g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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