CAS 5704-66-5 2-Oxopropanoyl chloride (HCID 521791)

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Basic information

CAS: 5704-66-5
Standard SMILES: CC(=O)C(=O)Cl
InChIKey: AUUTXOKCFQTKPL-UHFFFAOYSA-N
Molecular formula: C3H3ClO2
Average molar mass: 106.51 g/mol
Monoisotopic mass: 105.98215702

Names & identifiers

Preferred name: 2-Oxopropanoyl chloride
IUPAC: 2-oxopropanoyl chloride
English name: Pyruvoyl chloride
Molecular formula: C3H3ClO2
Molecular weight: 106.51

Names & synonyms

2-oxopropanoyl chloride5704-66-5DTXSID20334733RefChem:264961DTXCID70285822815-223-6pyruvic acid chloridePYRUVOYL CHLORIDEPropanoyl chloride, 2-oxo-pyruvylchloride2-Oxopropanoic acid chloridepyruvyl chloride

Show more names

Perindopril Impurity 812-OXOPROPANOYL CHLORIDE(WXG02573)2-Oxopropanoic Acid Chloride (~90%)

2-oxopropanoylchloride2-oxopropionyl chloride2-oxo-propionyl chloridePyruvyl chloride or 2-oxo-propionyl chlorideSCHEMBL104469AUUTXOKCFQTKPL-UHFFFAOYSA-NSTR02218MFCD17013344

Database identifiers

CAS: 5704-66-5
PubChem CID: 521791
DTXSID: DTXSID20334733
EC Number: 815-223-6
Nikkaji: J1.136.304K

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 86.8

Physicochemical properties

Boiling point: 70 · 70-80 °C
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H302
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (50%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H314-H302
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501