Acetylformaldehyde-13C3
Basic information
- CAS
1353867-77-2- Standard SMILES
[13CH3][13C](=O)[13CH]=O- InChIKey
AIJULSRZWUXGPQ-VMIGTVKRSA-N- Molecular formula
- C3H4O2
- Average molar mass
- 75.041 g/mol
- Monoisotopic mass
- 75.03119387
Names & identifiers
- Preferred name
- Acetylformaldehyde-13C3
- IUPAC
- 2-oxo(1,2,3-13C3)propanal
- English name
- [13C3]-Pyruvaldehyde (2% aqueous solution)
- Molecular formula
- C3H4O2
- Molecular weight
- 75.04
Names & synonyms
1353867-77-2Acetylformaldehyde-13C3RefChem:552501106-350-1Pyruvaldehyde-13C3 (2% aqueous solution)Methylglyoxal-13C3Pyruvaldehyde-13C3 (20% aqueous solution)Pyruvaldehyde-13C3Methylglyoxal-[13C3]Pyruvaldehyde-13C3(20%aqueoussolution)[13C3]-Pyruvaldehyde (2% aqueous solution)
Database identifiers
- CAS
1353867-77-2- PubChem CID
- 71309869
- EC Number
- 106-350-1
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 55.9
Physicochemical properties
- Density
- 0.994 · 0.994±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- soluble in Water
- form
- Colourless Solution
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
P203, P234, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P390, P405, P406, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesMet. Corr. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesPyruvaldehyde-13C3 (20% aqueous solution) is derived from Acetone-13C3 is an isotope analog of acetone, which is a common organic building block in organic chemistry synthesis.
Suppliers
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Related reactions
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Compound notes
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