AG003L4K

1930-72-9 | 4-Chloro-3,5-dinitrobenzonitrile

AG003L4K

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CAS Number	1930-72-9
Catalog Number	AG003L4K(AGN-PC-0JKCMO)
Chemical Name	4-Chloro-3,5-dinitrobenzonitrile
EC Number	217-686-4
IUPAC Name	4-chloro-3,5-dinitrobenzonitrile
InChI	InChI=1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H
InChI Key	SCGDEDHSPCXGEC-UHFFFAOYSA-N
MDL Number	MFCD00007067
Molecular Formula	C7H2ClN3O4
Molecular Weight	227.5615
NSC Number	74453
SMILES	N#CC1=CC([N+]([O-])=O)=C(Cl)C([N+]([O-])=O)=C1
Synonyms	4-Chloro-3,5-dinitrobenzonitrile, 1930-72-9, BENZONITRILE, 4-CHLORO-3,5-DINITRO-, 4-Chloro-3,5-dinitrobenzenenitrile, EINECS 217-686-4, NSC 74453, BRN 1990451, AI3-28718, CHEMBL301606, SCGDEDHSPCXGEC-UHFFFAOYSA-N, Benzonitrile,4-chloro-3,5-dinitro-, MFCD00007067, 4-chloro-3,5-dinitrobenzenecarbonitrile, NSC74453, 1-chloro-4-cyano-2,6-dinitrobenzene, ACMC-1BRCU, SCHEMBL645653, 4-chloro-3,5-dinitrobenzonitril, CTK4E1157, DTXSID70172905, 3,5-Dinitro-4-chlorobenzonitrile, 4-cyano-2,6-dinitrochlorobenzene, 4-Chloro-3,5-dinitro-benzonitrile, AC1L2733, ACT08111, ZINC1620979, ANW-23590, BDBM50101935, NSC-74453, SBB003307, AKOS005255009, MCULE-4128535271, VZ28738, 4-Chloro-3,5-dinitrobenzonitrile, 97%, ACM1930729|1, CC-18708, CJ-26122, LS-38662, 4-chloranyl-3,5-dinitro-benzenecarbonitrile, DB-044818, TC-112335, FT-0618058, ST50308114, X6940, A813625, C-13007, J-012496, I14-44538, InChI=1/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2, C7H2ClN3O4, Benzonitrile,5-dinitro-, C7-H2-Cl-N3-O4, CID16008, c1011, 4-Chloro-3,5-dinitrobenzonitrile, 97% - 5G 5g,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.973g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.56g/mol
Monoisotopic Mass	226.973g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P304+P340-P405-P501a-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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