AG003MNP

5367-28-2 | 5-Chloro-2-nitrotoluene

AG003MNP

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CAS Number	5367-28-2
Catalog Number	AG003MNP(AGN-PC-0JLRXQ)
Chemical Name	5-Chloro-2-nitrotoluene
EC Number	226-355-3
IUPAC Name	4-chloro-2-methyl-1-nitrobenzene
InChI	InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
InChI Key	NSMZCUAVEOTJDS-UHFFFAOYSA-N
MDL Number	MFCD00024579
Molecular Formula	C7H6ClNO2
Molecular Weight	171.5810
SMILES	C1=C([N+]([O-])=O)C(=CC(=C1)Cl)C
Synonyms	5-Chloro-2-nitrotoluene, 5367-28-2, 4-chloro-2-methyl-1-nitrobenzene, Toluene, 5-chloro-2-nitro-, 3-Chloro-6-nitrotoluene, Benzene, 4-chloro-2-methyl-1-nitro-, BRN 2502585, 2-Nitro-5-chlorotoluene, EINECS 226-355-3, Benzene, 1-chloro-3-methyl-4-nitro- (9CI), 4-chloro-2-methyl-1-nitro-benzene, AC1Q5ABU, ACMC-1AM5R, 5-chloro-2-nitro-toluene, AC1L2X5P, KSC494A7D, 4-Chloro-2-methylnitrobenzene, SCHEMBL359844, 4-chloro-2-methyl-1-nitro-, 5-Chloro-2-nitrotoluene, 98%, CTK3J4071, KS-00000ENX, 5-chloro-2-nitro-toluen;Benzene, DTXSID80201912, NSMZCUAVEOTJDS-UHFFFAOYSA-N, 1-chloro-3-methyl-4-nitro-benzen, ACT01115, ZINC2571402, ANW-31826, MFCD00024579, SBB064889, AKOS009127740, AS06939, Benzene, 1-chloro-3-methyl-4-nitro-, CS-W002149, RP23373, RTR-018989, TRA0038816, VZ30232, AJ-41898, AK-44998, AS-17278, BR-44998, CJ-09913, SC-44652, SY006512, U231, AB0019158, DB-024119, LS-154036, ST2411950, TR-018989, FT-0635647, ST50406129, MFCD00024579 (98%), M-2786, I01-6216, W-105715, C7H6ClNO2, C7-H6-Cl-N-O2, CID79329, AR-1G1562, ACN-056070, -CHLORO-2-METHYL-1-NITRO-BENZENE, C2586, 4-05-00-00854 (Beilstein Handbook Reference), 5-Chloro-2-nitrotoluene, 97% - 25G 25g, 54546-26-8,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.58g/mol
Monoisotopic Mass	171.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 3457

Certificate of Analysis

Lot Number