AG00IGW0

918-00-3 | 1,1,1-Trichloroacetone

AG00IGW0

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CAS Number	918-00-3
Catalog Number	AG00IGW0(AGN-PC-0WAL1W)
Chemical Name	1,1,1-Trichloroacetone
IUPAC Name	1,1,1-trichloropropan-2-one
InChI	InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3
InChI Key	SMZHKGXSEAGRTI-UHFFFAOYSA-N
MDL Number	MFCD00018829
Molecular Formula	C3H3Cl3O
Molecular Weight	161.4143
NSC Number	2645
SMILES	O=C(C)C(Cl)(Cl)Cl
UNII	NW27ZG5LDA
Synonyms	1,1,1-TCP, 1,1,1-trichloro-2-propanone, 1,1,1-trichloroacetone, 1,1,1-TRICHLOROACETONE, 918-00-3, 1,1,1-Trichloropropanone, Trichloroacetone, 1,1,1-Trichloro-2-propanone, 2-Propanone, 1,1,1-trichloro-, 1,1,1-trichloropropan-2-one, 2-Propanone, trichloro-, UNII-NW27ZG5LDA, CCRIS 7196, alpha,alpha,alpha-Trichloroacetone, NSC 2645, NW27ZG5LDA, BRN 1748883, AI3-19851, SMZHKGXSEAGRTI-UHFFFAOYSA-N, .alpha.,.alpha.,.alpha.-Trichloroacetone, 72497-18-8, HSDB 7625, 1,1-Trichloroacetone, CCl3COCH3, 1,1-Trichloropropanone, ACMC-209rdn, AC1Q1JAF, DSSTox_CID_1679, AC1L21VO, 1,1-Trichloro-2-propanone, DSSTox_RID_76279, DSSTox_GSID_21679, 2-Propanone,1,1-trichloro-, SCHEMBL136756, CHEMBL3185648, DTXSID5021679, CTK2H9253, .alpha.,.alpha.-Trichloroacetone, NSC2645, NSC-2645, ZINC1641054, Tox21_201222, ANW-39753, MFCD00018829, AKOS015848746, MCULE-6100811363, 1,1,1-TRICHLOROACETONE 95+%, NCGC00248963-01, NCGC00258774-01, AN-24772, CAS-918-00-3, CJ-26462, DB-057269, LS-123195, TR-028911, FT-0605937, InChI=1/C3H3Cl3O/c1-2(7)3(4,5)6/h1H, C3H3Cl3O, C3-H3-Cl3-O, CID13514, T1376, 4-01-00-03221 (Beilstein Handbook Reference),

Complexity	82.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.925g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.406g/mol
Monoisotopic Mass	159.925g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319
Packing Group
Precautionary statements	P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
UN Code

Certificate of Analysis

Lot Number