AG00ALTF

19619-22-8 | 2,4-dicyanoaniline

AG00ALTF

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CAS Number	19619-22-8
Catalog Number	AG00ALTF(AGN-PC-0JLX97)
Chemical Name	2,4-dicyanoaniline
EC Number	243-188-1
IUPAC Name	4-aminobenzene-1,3-dicarbonitrile
InChI	InChI=1S/C8H5N3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3H,11H2
InChI Key	IPMNLGOBXWTQRV-UHFFFAOYSA-N
MDL Number	MFCD00270798
Molecular Formula	C8H5N3
Molecular Weight	143.1454
SMILES	N#CC1=CC=C(N)C(C#N)=C1
Synonyms	4-aminoisophthalonitrile, 19619-22-8, 2,4-Dicyanoaniline, 1-amino-2,4-dicyanobenzene, 4-aminobenzene-1,3-dicarbonitrile, EINECS 243-188-1, 2.4-dicyanoaniline, AC1L3F5Z, SCHEMBL3440802, CTK4E1926, KS-00000ZNL, DTXSID30173291, IPMNLGOBXWTQRV-UHFFFAOYSA-N, ZINC2562574, MFCD00270798, 1,3-Benzenedicarbonitrile, 4-amino-, AKOS006272784, AK313657, AS-46284, DB-012994, FT-0713358, C8-H5-N3, CID88169,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	143.149g/mol
Monoisotopic Mass	143.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

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