AG002D4B

20098-48-0 | Benzene, 1,2,3-trichloro-5-nitro-

AG002D4B

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CAS Number	20098-48-0
Catalog Number	AG002D4B(AGN-PC-0JLXDI)
Chemical Name	Benzene, 1,2,3-trichloro-5-nitro-
EC Number	243-511-6
IUPAC Name	1,2,3-trichloro-5-nitrobenzene
InChI	InChI=1S/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChI Key	HHLCSFGOTLUREE-UHFFFAOYSA-N
MDL Number	MFCD00061096
Molecular Formula	C6H2Cl3NO2
Molecular Weight	226.4446
NSC Number	523881
SMILES	O=[N+](C1=CC(Cl)=C(Cl)C(Cl)=C1)[O-]
UN Number	2811
UNII	AH0CU8672K
Synonyms	3,4,5-Trichloronitrobenzene, 1,2,3-Trichloro-5-nitrobenzene, 20098-48-0, Benzene, 1,2,3-trichloro-5-nitro-, 5-Nitro-1,2,3-trichlorobenzene, UNII-AH0CU8672K, EINECS 243-511-6, AH0CU8672K, HHLCSFGOTLUREE-UHFFFAOYSA-N, 1,2,3-trichloro-5-nitro-benzene, MFCD00061096, NSC523881, PubChem3717, ACMC-1CMCW, AC1L3FKO, 3,5-Trichloronitrobenzene, DSSTox_CID_6205, AC1Q3LJ2, DSSTox_RID_78057, DSSTox_GSID_26205, KSC543E7L, SCHEMBL635165, Jsp004107, CHEMBL1443813, DTXSID5026205, CTK4E3275, KS-00000KFG, ZINC56934, 3,4,5-trichloro-1-nitrobenzene, Benzene,2,3-trichloro-5-nitro-, BCP06892, Tox21_200704, 1,2,3-Trichloro-5-nitrobenzene #, ANW-23916, Benzene,1,2,3-trichloro-5-nitro-, LS-983, SBB064648, STL481334, AKOS015890186, AN-6164, AS02463, MCULE-6830698702, NSC-523881, 1,2,3-Trichloro-5-nitrobenzene, 96%, NCGC00091289-01, NCGC00091289-02, NCGC00258258-01, AJ-09505, AK128880, L414, PS-10354, SC-46214, ZB001888, AB0014688, CAS-20098-48-0, DB-045086, TC-112661, FT-0606224, ST24036653, ST50307338, 98T480, K-5873, 098T480, I01-5331, W-107651, InChI=1/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2, C6H2Cl3NO2, 3,4,5-Trichloro nitrobenzene, C6-H2-Cl3-N-O2, KST-1B1550, CID88365, AR-1B5280, ACN-034358, T1580, 1,2,3-Trichloro-5-nitrobenzene, 96% - 1G 1g, 20513-79-5,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.915g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.437g/mol
Monoisotopic Mass	224.915g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number