AG00DEAR

55984-93-5 | 2-Methylbenzene-1,4-dicarbonitrile

AG00DEAR

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CAS Number	55984-93-5
Catalog Number	AG00DEAR(AGN-PC-0N4594)
Chemical Name	2-Methylbenzene-1,4-dicarbonitrile
IUPAC Name	2-methylbenzene-1,4-dicarbonitrile
InChI	InChI=1S/C9H6N2/c1-7-4-8(5-10)2-3-9(7)6-11/h2-4H,1H3
InChI Key	UJXAVMZSVIODSH-UHFFFAOYSA-N
MDL Number	MFCD00119249
Molecular Formula	C9H6N2
Molecular Weight	142.1573
SMILES	N#CC1=CC=C(C#N)C=C1C
Synonyms	2-methylterephthalonitrile, 55984-93-5, 2,5-DICYANOTOLUENE, Methylterephthalonitrile, 2-methylbenzene-1,4-dicarbonitrile, 4-Phthalodinitrile, 1,4-Benzenedicarbonitrile, 2-methyl-, AK115565, AN-584/43484533, ACMC-1AWJN, Methylterephthalonitrile, 98%, SCHEMBL393190, CTK5A4444, DTXSID20439515, UJXAVMZSVIODSH-UHFFFAOYSA-N, KS-00000I7Q, ZINC2577642, 1,4-Benzenedicarbonitrile,2-methyl-, DT1803, MFCD00119249, RB3313, AKOS015889032, AN-1554, CS-W004994, FCH1122105, MCULE-2861650505, OR51883, AJ-42671, AS-20077, CJ-10129, SC-98693, SY018117, AB0061141, AX8165165, DB-072074, TC-166100, 4CH-002947, FT-0696026, ST24028108, Z4885, MFCD00119249 (95%), M-8718, 984D935, A830880, I01-17632, Not Available, C9H6N2, ACN-050535, CID10419286,

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 statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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