Basic information
- Standard SMILES
O.O=CC(=O)c1ccccc1- InChIKey
YQBLQKZERMAVDO-UHFFFAOYSA-N- Molecular formula
- C8H8O3
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.04734412
Names & identifiers
- Preferred name
- Glyoxal, phenyl-, hydrate
- IUPAC
- 2-oxo-2-phenylacetaldehyde;hydrate
- English name
- Phenylglyoxal monohydrate
- Molecular formula
- C8H6O2.H2O
- Molecular weight
- 152.15
Names & synonyms
78146-52-8Glyoxal, phenyl-, hydrateDTXSID401018278RefChem:1086119DTXCID301476502Phenylglyoxal monohydrate2-OXO-2-PHENYLACETALDEHYDE HYDRATE2-oxo-2-phenylacetaldehyde;hydrateMFCD00149499Phenyglyoxal monohydratephenylglyoxal-monohydratephenyl glyoxal monohydrate
Show more names
PHENYLGLYOXALPHENYLGLYOXAL HYDRATE2,2-DIHYDROXY-1-PHENYL-ETHANONEBENZOYLFORMALDEHYDE MONOHYDRATEbenzeneacetaldehyde, a-oxo-, hydrateBenzeneacetaldehyde, a-oxo-, hydrate (1:1)
Phenylglyoxal hydrate, 97%MLS002454440SCHEMBL141911oxo(phenyl)acetaldehyde hydrateorb1940291CHEMBL1364985P-PHENYLGLYOXAL MONOHYDRATEYQBLQKZERMAVDO-UHFFFAOYSA-N
Database identifiers
- CAS
78146-52-8- PubChem CID
- 12215922
- DTXSID
DTXSID401018278- ChEMBL
CHEMBL1364985
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 76 · 76-79 °C(lit.)
- Boiling point
- 142 °C125 · 142 °C125 mm Hg(lit.)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 22 · 22-26-36
- WGK Germany
- 3 · 3
- RTECS
- 3260000 · MD3260000
- HS Code
- 2914390090 · 2914390090
Safety & regulation
Safety data
- wgk
- 3
- rtecs
- MD3260000
- hs_code
- 2914390090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers19 total
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Related reactions
41 records
Linked notes
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