1-(2-Chlorophenyl)propane-1,2-dione

HCID 17865618
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Basic information

CAS
64497-33-2
Standard SMILES
CC(=O)C(=O)c1ccccc1Cl
InChIKey
CARKZQDAMOFQCY-UHFFFAOYSA-N
Molecular formula
C9H7ClO2
Average molar mass
182.6 g/mol
Monoisotopic mass
182.0134572

Names & identifiers

Preferred name
1-(2-Chlorophenyl)propane-1,2-dione
IUPAC
1-(2-chlorophenyl)propane-1,2-dione
English name
1-(2-Chlorophenyl)propane-1,2-dione
Molecular formula
C9H7ClO2
Molecular weight
182.6

Names & synonyms

1-(2-chlorophenyl)propane-1,2-dione64497-33-2DTXSID50591392RefChem:223393DTXCID40542156SCHEMBL1596844CARKZQDAMOFQCY-UHFFFAOYSA-NDB-0100091,2-Propanedione, 1-(2-chlorophenyl)-

Database identifiers

CAS
64497-33-2
PubChem CID
17865618
DTXSID
DTXSID50591392
Nikkaji
J3.007.048H

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Boiling point
276.4 · 276.4±23.0 °C(Predicted)
Density
1.246 · 1.246±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Suppliers4 total

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
苏州诺贝科生物科技有限公司13962527677 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]

Related reactions

16 records
New reaction record

Compound notes

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