Einecs 238-081-1
Basic information
- CAS
14219-90-0- Standard SMILES
CC(=O)/C=C(/C)[O-].[Tl+]- InChIKey
QGQYKYKTENVDSC-LNKPDPKZSA-M- Molecular formula
- C5H7O2Tl
- Average molar mass
- 303.49 g/mol
- Monoisotopic mass
- 304.01903
Names & identifiers
- Preferred name
- Einecs 238-081-1
- IUPAC
- (Z)-4-oxopent-2-en-2-olate;thallium(1+)
- English name
- (pentane-2,4-dionato-O,O')thallium
- Molecular formula
- C5H7O2Tl
- Molecular weight
- 303.49
Names & synonyms
EINECS 238-081-1(Z)-4-oxopent-2-en-2-olate;thallium(1+)SCHEMBL19819DTXSID20931382(Pentane-2,4-dionato-O,O')thalliumNSC 127940Thallium(1+) 2,4-dioxopentan-3-ideQ4073302Thallium, (2,4-pentanedionato-κO,κO′)-Thallium,(2,4-pentanedionato-kO,kO')- (9CI)
Database identifiers
- CAS
14219-90-0- PubChem CID
- 5483672
- DTXSID
DTXSID20931382- EC Number
- 238-081-1
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 90.4
Physicochemical properties
- Melting point
- 160 °C · 160 °C (decomp)
- form
- Crystalline
- Exposure limits
- 0.02 mg/m3 · ACGIH: TWA 0.02 mg/m3 (Skin)NIOSH: IDLH 15 mg/m3; TWA 0.1 mg/m3
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Hazard statements
- 300 · H300-H330-H373-H411
- Precautionary statements
- 301 · P301+P310a-P304+P340-P320-P330-P405-P501a
- HazardClass
- 6.1 · 6.1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_class
- 6.1
- Hazard statements
- H300-H330-H373-H411
- Precautionary statements
- P301+P310a-P304+P340-P320-P330-P405-P501a
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Related reactions
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Compound notes
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