AG002ZHA

3029-30-9 | 1,​4-​Naphthalenedicarboni​trile

AG002ZHA

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CAS Number	3029-30-9
Catalog Number	AG002ZHA(AGN-PC-0JLQ0J)
Chemical Name	1,​4-​Naphthalenedicarboni​trile
EC Number	221-197-1
IUPAC Name	naphthalene-1,4-dicarbonitrile
InChI	InChI=1S/C12H6N2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H
InChI Key	BENSWQOUPJQWMU-UHFFFAOYSA-N
MDL Number	MFCD03093626
Molecular Formula	C12H6N2
Molecular Weight	178.1894
NSC Number	128542
SMILES	C(#N)c1c2c(c(cc1)C#N)cccc2
Synonyms	1,4-Dicyanonaphthalene, Naphthalene-1,4-dicarbonitrile, 3029-30-9, 1,4-Naphthalenedicarbonitrile, MFCD03093626, EINECS 221-197-1, NSC128542, 1,4-Dicyanonahthalene, ACMC-209heb, AC1L2QUW, AC1Q4RPE, ghl.PD_Mitscher_leg0.246, SCHEMBL151936, CTK1C4584, DTXSID00184374, BENSWQOUPJQWMU-UHFFFAOYSA-N, ZINC1716992, ANW-26817, AKOS022505305, ACM3029309, FCH1117517, MCULE-1444811175, NSC-128542, CJ-06826, SC-25768, TC-115562, D2758, FT-0766693, ST50408512, KS-00001480, I14-94013, C12H6N2, KST-1B2977, CID76414, AR-1B7912, C12-H6-N2, 313-62-2,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.194g/mol
Monoisotopic Mass	178.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 3439

Certificate of Analysis

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