AG003FE3

13608-87-2 | 1-(2,3,4-Trichlorophenyl)ethanone

AG003FE3

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CAS Number	13608-87-2
Catalog Number	AG003FE3(AGN-PC-0JKIM4)
Chemical Name	1-(2,3,4-Trichlorophenyl)ethanone
EC Number	237-092-9
IUPAC Name	1-(2,3,4-trichlorophenyl)ethanone
InChI	InChI=1S/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3
InChI Key	BXJZZJYNVIDEKG-UHFFFAOYSA-N
MDL Number	MFCD00000542
Molecular Formula	C8H5Cl3O
Molecular Weight	223.4837
SMILES	CC(C1=CC=C(Cl)C(Cl)=C1Cl)=O
UN Number	1759
UNII	8HVD33N785
Synonyms	2',3',4'-TRICHLOROACETOPHENONE, 13608-87-2, 1-(2,3,4-Trichlorophenyl)ethanone, 2,3,4-Trichloroacetophenone, Ethanone, 1-(2,3,4-trichlorophenyl)-, 1-(2,3,4-trichlorophenyl)ethan-1-one, CCRIS 785, UNII-8HVD33N785, EINECS 237-092-9, Acetophenone, 2',3',4'-trichloro-, BXJZZJYNVIDEKG-UHFFFAOYSA-N, 8HVD33N785, MFCD00000542, Ethanone,1-(2,3,4-trichlorophenyl)-, 1-acetyl-2,3,4-trichlorobenzene, ACMC-1BRXZ, AC1L1AHC, AC1Q1JFF, DSSTox_CID_2256, DSSTox_RID_76531, DSSTox_GSID_22256, MLS002415678, SCHEMBL403103, Jsp002184, CHEMBL1870723, DTXSID2022256, BXJZZJYNVIDEKG-UHFFFAOYSA-, CTK4C0149, ZINC56484, 2',3',4'-Trichloroacetonphenone, AM731, HMS3039P10, 2',3',4'-trichloro acetophenone, 2',3',4'-trichloro-acetophenone, KS-000014SQ, ethanone, 1-2,3,4-trichlorophenyl, Tox21_200293, ANW-20010, BBL011536, LS-796, SBB058348, STL146655, AKOS000120305, 2',3',4'-trichloroacetophenone,95%, 2-chloro-(3,4-dichlorophenyl)ethanone, MCULE-4624873883, NE10030, TRA0048830, VZ22097, 1-(2,3,4-Trichlorophenyl)ethanone #, 2',3',4'-Trichloroacetophenone, 95%, NCGC00091193-01, NCGC00091193-02, NCGC00257847-01, SMR001370873, ZB001672, 1-[2,3,4-tris(chloranyl)phenyl]ethanone, CAS-13608-87-2, DB-001199, TC-108755, TL8000838, FT-0609106, ST50308555, 2\',3\',4\'-TRICHLOROACETOPHENONE, A807025, I01-3127, W-108253, Z1250100702, 3,4-dichlorophenacyl chloride ,2-chloro-(3,4-dichlorophenyl)ethanone, InChI=1/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3, 2 inverted exclamation marka,3 inverted exclamation marka,4 inverted exclamation marka-Trichloroacetophenone, C8H5Cl3O, C8-H5-Cl3-O, CID26132, NA1759, UN1759, ACN-052700, T2306,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.941g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.477g/mol
Monoisotopic Mass	221.941g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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