AG003B4B

18708-70-8 | 1,3,5-Trichloro-2-nitrobenzene

AG003B4B

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CAS Number	18708-70-8
Catalog Number	AG003B4B(AGN-PC-0JKKL5)
Chemical Name	1,3,5-Trichloro-2-nitrobenzene
EC Number	242-518-1
IUPAC Name	1,3,5-trichloro-2-nitrobenzene
InChI	InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
InChI Key	AEBJDOTVYMITIA-UHFFFAOYSA-N
MDL Number	MFCD00014690
Molecular Formula	C6H2Cl3NO2
Molecular Weight	226.4446
NSC Number	10244
SMILES	O=[N+](C1=C(Cl)C=C(Cl)C=C1Cl)[O-]
UN Number	1578
UNII	T00KP6CT7K
Synonyms	2,4,6-Trichloronitrobenzene, 1,3,5-Trichloro-2-nitrobenzene, 18708-70-8, Benzene, 1,3,5-trichloro-2-nitro-, 2,4,6-Trichloro-1-nitrobenzene, UNII-T00KP6CT7K, EINECS 242-518-1, NSC 10244, T00KP6CT7K, AEBJDOTVYMITIA-UHFFFAOYSA-N, Benzene,1,3,5-trichloro-2-nitro-, MFCD00014690, NSC10244, ACMC-209epa, 2,6-Trichloronitrobenzene, DSSTox_CID_6204, AC1L1H0A, DSSTox_RID_78056, 1,3,5-trichloronitrobenzene, DSSTox_GSID_26204, MLS002152859, SCHEMBL954217, 2,4,6-trichloro nitrobenzene, 1,5-Trichloro-2-nitrobenzene, 2,4,6-Trichloronitro Benzene, 2,6-Trichloro-1-nitrobenzene, CHEMBL1333420, DTXSID0026204, CTK4D9410, KS-00000ZLV, ZINC57636, 1-Nitro-2,4,6-trichlorobenzene, 2-Nitro-1,3,5-trichlorobenzene, Benzene,3,5-trichloro-2-nitro-, 1,3,5-trichloro-2-nitro-benzene, 1-Nitro-2,4-6-trichloro benzene, Tox21_200687, ANW-23324, LS-956, NSC-10244, AKOS015833795, FCH1321388, MCULE-4323338867, VZ22388, ACM18708708, 1,3,5-tris(chloranyl)-2-nitro-benzene, NCGC00090831-01, NCGC00090831-02, NCGC00258241-01, AJ-09758, CC-07143, L051, SMR001224483, ZB002193, AX8009720, CAS-18708-70-8, DB-044630, TC-030113, FT-0606507, ST50826885, A813114, C-12913, I14-106436, 1,3,5-Trichloro-2-nitrobenzene, technical, ~85% (HPLC), C6H2Cl3NO2, C6-H2-Cl3-N-O2, CID29228, T0388,

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	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331-H373-H413
Packing Group	Ⅱ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

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