AG003B1J

13547-70-1 | 1-Chloropinacolone

AG003B1J

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CAS Number	13547-70-1
Catalog Number	AG003B1J(AGN-PC-0JLUMD)
Chemical Name	1-Chloropinacolone
EC Number	236-920-6
IUPAC Name	1-chloro-3,3-dimethylbutan-2-one
InChI	InChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
InChI Key	ULSAJQMHTGKPIY-UHFFFAOYSA-N
MDL Number	MFCD00035688
Molecular Formula	C6H11ClO
Molecular Weight	134.6039
SMILES	ClCC(C(C)(C)C)=O
UNII	Z6QD905NNW
Synonyms	1-chloro-3,3-dimethyl-2-butanone, 1-monochloropinacoline, monochloropinacolin, 1-Chloropinacolone, 13547-70-1, 1-Chloro-3,3-dimethylbutan-2-one, 1-Chloro-3,3-dimethyl-2-butanone, Chlorpinakolin, 2-Butanone, 1-chloro-3,3-dimethyl-, tert-Butyl chloromethyl ketone, alpha-Chloropinacolin, alpha-Chloropinacoline, 1-Monochloropinacoline, Chloromethyl tert-butyl ketone, Chloropinacoline, UNII-Z6QD905NNW, 1-Chloropinacolin, EINECS 236-920-6, MFCD00035688, 1-Chloro-3,3-dimethyl-butan-2-one, Z6QD905NNW, ULSAJQMHTGKPIY-UHFFFAOYSA-N, DSSTox_CID_7749, DSSTox_RID_78555, DSSTox_GSID_27749, CAS-13547-70-1, chloropinacolone, 1-chlor-3,3-dimethylbutan-2-on, alpha-Chloropinacolone, .alpha.-Chloropinacolone, AC1Q1LKY, 1-Chloropinacolone, 95%, AC1Q3T8T, tert-Butylchloromethyl ketone, SCHEMBL204096, AC1L35P6, CHEMBL3185760, DTXSID8027749, ULSAJQMHTGKPIY-UHFFFAOYSA-, l-chloro-3,3-dimethyl-2-butanone, KS-00000VL8, ZINC4262385, Tox21_202148, Tox21_303424, 2,2-dimethyl-4-chloro-butan-3-one, SBB006668, STL301688, AKOS000119575, FS-4078, LS40447, MCULE-1894659371, RL01595, NCGC00249176-01, NCGC00257363-01, NCGC00259697-01, LS-46657, SC-26808, DB-042290, TL8000830, FT-0636915, ST51038200, 547C701, I14-3430, W-108271, F0001-0460, InChI=1/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3, C6H11ClO, C6-H11-Cl-O, CID83572, AR-1C2198, 1-Chloropinacolone, 95% - 100G 100g, C1335, 13692-14-3,

Complexity	91.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.05g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	134.603g/mol
Monoisotopic Mass	134.05g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H227-H301-H311-H315-H319-H330-H335
Packing Group	Ⅲ
Precautionary statements	P210-P280-P301+P310-P304+P340-P305+P351+P338-P310
UN Code	UN 2810

Certificate of Analysis

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