AG003MMA

51676-74-5 | 5-Chloro-2,4-dinitrotoluene

AG003MMA

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CAS Number	51676-74-5
Catalog Number	AG003MMA(AGN-PC-0JNRR3)
Chemical Name	5-Chloro-2,4-dinitrotoluene
IUPAC Name	1-chloro-5-methyl-2,4-dinitrobenzene
InChI	InChI=1S/C7H5ClN2O4/c1-4-2-5(8)7(10(13)14)3-6(4)9(11)12/h2-3H,1H3
InChI Key	KPDPGZNHKMJEFZ-UHFFFAOYSA-N
MDL Number	MFCD00041235
Molecular Formula	C7H5ClN2O4
Molecular Weight	216.5786
NSC Number	77049
SMILES	ClC=1C(=CC(=C(C1)C)[N+](=O)[O-])[N+](=O)[O-]
Synonyms	5-Chloro-2,4-dinitrotoluene, 51676-74-5, 1-chloro-5-methyl-2,4-dinitrobenzene, Toluene, 5-chloro-2,4-dinitro-, KPDPGZNHKMJEFZ-UHFFFAOYSA-N, MFCD00041235, 1-chloro-5-methyl-2,4-dinitro-benzene, AJ-333/25006068, 2-chloro-4-methyl-1,5-dinitrobenzene, NSC77049, ACMC-20am4s, AC1Q5AGY, AC1L5OW5, 5-Chlor-2.4-dinitrotoluol, NCIOpen2_004068, 3-Chloro-4,6-dinitrotoluene, SCHEMBL358890, CTK4J4680, DTXSID90291667, KS-00002AI1, ZINC1708339, ZX-AT005799, 7226AB, NSC-77049, OR6640, SBB095316, 5-Chloro-2,4-dinitrotoluene, 97%, AKOS015889064, FCH1317410, MCULE-9233615516, PS-5793, ACM51676745, AJ-30717, Benzene,1-chloro-5-methyl-2,4-dinitro-, CC-21480, CJ-28961, 1-chloranyl-5-methyl-2,4-dinitro-benzene, AX8004378, DB-052005, ST2415308, TC-168355, FT-0620236, ST50827340, K-9491, A828728, C-11710, I01-17191, Toluene,4-dinitro-, C7H5ClN2O4, AR-1L6964, CID253802, 5-Chloro-2,4-dinitrotoluene, 95% - 25G 25g, 5461-80-3,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.994g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.577g/mol
Monoisotopic Mass	215.994g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	91.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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