AG003DUM

6251-01-0 | 11,11,12,12-Tetracyanonaphtho-2,6-quinodimethane

AG003DUM

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CAS Number	6251-01-0
Catalog Number	AG003DUM(AGN-PC-0JMQAQ)
Chemical Name	11,11,12,12-Tetracyanonaphtho-2,6-quinodimethane
IUPAC Name	2-[6-(dicyanomethylidene)naphthalen-2-ylidene]propanedinitrile
InChI	InChI=1S/C16H6N4/c17-7-15(8-18)13-3-1-11-5-14(16(9-19)10-20)4-2-12(11)6-13/h1-6H
InChI Key	JLTPSDHKZGWXTD-UHFFFAOYSA-N
MDL Number	MFCD00059115
Molecular Formula	C16H6N4
Molecular Weight	254.2456
SMILES	N#C/C(C#N)=C(C=CC1=C/2)C=C1C=CC2=C(C#N)C#N
Synonyms	6251-01-0, TNAP, Tetracyano-2,6-naphthoquinodimethane, 11,11,12,12-Tetracyanonaphtho-2,6-quinodimethane, 2,2'-(Naphthalene-2,6-diylidene)dimalononitrile, 2-[6-(dicyanomethylidene)naphthalen-2-ylidene]propanedinitrile, AC1L3DEJ, tetracyanonaphthoquinodimethane, SCHEMBL5052715, DTXSID60211559, ZINC2522749, MFCD00059115, AKOS015902812, FT-0607207, C-46415, I14-19362, CID138704, T1246,

Complexity	765
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.059g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.252g/mol
Monoisotopic Mass	254.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	95.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319
Packing Group	Ⅲ
Precautionary statements	P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405
UN Code	UN 3439

Certificate of Analysis

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