AG00EADE

63089-50-9 | 4-Methylphthalonitrile

AG00EADE

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CAS Number	63089-50-9
Catalog Number	AG00EADE(AGN-PC-0KK6AF)
Chemical Name	4-Methylphthalonitrile
IUPAC Name	4-methylbenzene-1,2-dicarbonitrile
InChI	InChI=1S/C9H6N2/c1-7-2-3-8(5-10)9(4-7)6-11/h2-4H,1H3
InChI Key	MDXGRFMFORMPGT-UHFFFAOYSA-N
MDL Number	MFCD02093739
Molecular Formula	C9H6N2
Molecular Weight	142.1573
SMILES	CC1=CC=C(C#N)C(=C1)C#N
Synonyms	4-methylphthalonitrile, 4-Methylphthalonitrile, 63089-50-9, 4-methylbenzene-1,2-dicarbonitrile, 1,2-Benzenedicarbonitrile, 4-methyl-, MFCD02093739, AK-77198, 3,4-Dicyanotoluene, AC1MC02T, 1,2-Dicyano-4-methylbenzene, 4-Methylphthalonitrile, 99%, SCHEMBL1003862, CTK5B7480, DTXSID90370062, ZINC403395, KS-00000O7D, 1,2-Benzenedicarbonitrile,4-methyl-, ANW-57080, AKOS015841954, CS-W022221, DS-2220, FCH1115659, RP20740, VZ29431, AC-30168, AJ-22074, AN-39067, CC-19960, CJ-03867, ZB013204, AX8099103, DB-054404, ST2411545, TR-021736, FT-0640871, ST50823784, Z4970, M-9150, A834207, C-02111, I01-9272, J-515804, C9H6N2, ZINC00403395, ACN-051574, CID2733971,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.161g/mol
Monoisotopic Mass	142.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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