AG0033NE

1694-29-7 | 3-Chloroacetylacetone

AG0033NE

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CAS Number	1694-29-7
Catalog Number	AG0033NE(AGN-PC-0JLBJK)
Chemical Name	3-Chloroacetylacetone
EC Number	216-902-4
IUPAC Name	3-chloropentane-2,4-dione
InChI	InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
InChI Key	VLRGXXKFHVJQOL-UHFFFAOYSA-N
MDL Number	MFCD00009651
Molecular Formula	C5H7ClO2
Molecular Weight	134.5609
SMILES	ClC(C(C)=O)C(C)=O
Synonyms	3-chloropentane-2,4-dione, 3-Chloropentane-2,4-dione, 1694-29-7, 3-Chloro-2,4-pentanedione, 3-Chloroacetylacetone, 2,4-Pentanedione, 3-chloro-, 1-acetyl-1-chloroacetone, VLRGXXKFHVJQOL-UHFFFAOYSA-N, 3-Chloro-2,4-pentanedione, 98%, EINECS 216-902-4, AC1L2LOA, AC1Q1JAG, AC1Q5CAN, 3-Chloro 2,4-pentanedione, 3-Chloro.2,4-pentanedione, SCHEMBL53472, 3-chloro-pentane-2,4-dione, 2,4-Pentanedione,3-chloro-, ACMC-20a479, CHEMBL1650635, DTXSID9061887, CTK4D3291, KS-00000W1G, 3-Chloro-2,4-pentanedione, 97%, ANW-56371, BBL011522, MFCD00009651, SBB058797, STL146638, AKOS005720748, ZINC100005431, MCULE-4716617423, TR-032279, C1277, FT-0650367, ST51038075, V2327, J-010540, I14-49833, F2190-0294, 3-Chloro-2,4-pentanedione, produced by Wacker Chemie AG, Burghausen, Germany, >=97.0% (GC), C5H7ClO2, C5-H7-Cl-O2, CID74328, AR-1F2759, ACN-054200, 17268-44-9,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.013g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	134.559g/mol
Monoisotopic Mass	134.013g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1224

Certificate of Analysis

Lot Number