AG00252B

17700-09-3 | Benzene, 1,2,3-trichloro-4-nitro-

AG00252B

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CAS Number	17700-09-3
Catalog Number	AG00252B(AGN-PC-0WA5IH)
Chemical Name	Benzene, 1,2,3-trichloro-4-nitro-
IUPAC Name	1,2,3-trichloro-4-nitrobenzene
InChI	InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
InChI Key	BGKIECJVXXHLDP-UHFFFAOYSA-N
MDL Number	MFCD00007063
Molecular Formula	C6H2Cl3NO2
Molecular Weight	226.4446
NSC Number	91490
SMILES	O=[N+](C1=CC=C(Cl)C(Cl)=C1Cl)[O-]
UN Number	2811
UNII	339A4728AK
Synonyms	1,2,3-Trichloro-4-nitrobenzene, 2,3,4-TRICHLORONITROBENZENE, 17700-09-3, Trichloronitrobenzene, 2,3,4-Trichloro-1-nitrobenzene, Benzene, 1,2,3-trichloro-4-nitro-, 4-Nitro-1,2,3-trichlorobenzene, Benzene, 4-nitro-1,2,3-trichloro-, UNII-339A4728AK, EINECS 241-705-5, NSC 91490, BRN 2211951, 1,2,3-Trichloronitrobenzene, MLS002152856, BGKIECJVXXHLDP-UHFFFAOYSA-N, MFCD00007063, 339A4728AK, 1,2,3-tris(chloranyl)-4-nitro-benzene, SMR001224480, EINECS 249-716-7, PubChem8437, ACMC-1BPDN, AC1L1FVA, 2,4-Trichloronitrobenzene, DSSTox_CID_6202, DSSTox_RID_78054, DSSTox_GSID_26202, 2-05-00-00186 (Beilstein Handbook Reference), cid_28697, KSC131C9B, SCHEMBL278488, 2,3,4-trichloronitro-benzene, 2,4-Trichloro-1-nitrobenzene, CHEMBL354330, 2,3,4-trichloro-nitro-benzene, Jsp003644, 4-Nitro-1,2,3-trichlorobenze, DTXSID0026202, BDBM74251, CTK0D1190, 1-Nitro-2,3,4-trichlorobenzene, Benzene, 1,2,3-trichloronitro-, Benzene,2,3-trichloro-4-nitro-, ZINC164647, 1,2,3-Trichloro-4-nitro-benzene, NSC91490, Tox21_200670, ANW-22857, LS-942, NSC-91490, SBB009919, AKOS015890182, MCULE-3346731467, 1,2,3-Trichloro-4-nitrobenzene, 97%, NCGC00091260-01, NCGC00091260-02, NCGC00258224-01, 29595-61-7, AC-26229, AJ-16252, ST060496, ZB008242, CAS-17700-09-3, DB-044282, RT-002023, ST2414731, FT-0609375, Benzene, 1,2,3-trichloro-4-nitro- (8CI), A812229, Benzene, 1,2,3-trichloro-4-nitro- (8CI)(9CI), I01-5308, W-107833, InChI=1/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2, 112708-20-0, Benzene, trichloronitro-, C6H2Cl3NO2, C6-H2-Cl3-N-O2, CID28697, R217, Nonanedioic acid, bis(2-hydroxyethyl) ester, T1197,

Complexity	184
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	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 2811

Certificate of Analysis

Lot Number