2,2-Dihydroxy-1-(naphthalen-2-yl)ethanone
Basic information
- CAS
16208-21-2- Standard SMILES
O=C(c1ccc2ccccc2c1)C(O)O- InChIKey
FMIQMLLUSAXQKG-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
Names & identifiers
- Preferred name
- 2,2-Dihydroxy-1-(naphthalen-2-yl)ethanone
- IUPAC
- 2,2-dihydroxy-1-naphthalen-2-ylethanone
- English name
- 2-Naphthylglyoxal hydrate
- Molecular formula
- C12H10O3
- Molecular weight
- 202.21
Names & synonyms
2,2-Dihydroxy-1-(naphthalen-2-yl)ethanoneEthanone, 2,2-dihydroxy-1-(2-naphthalenyl)-SCHEMBL11639452,2-DIHYDROXY-1-(NAPHTHALEN-2-YL)ETHAN-1-ONE2,2-Dihydroxy-2'-acetonaphthoneFMIQMLLUSAXQKG-UHFFFAOYSA-N2,2-dihydroxy-1-naphthalen-2-ylethanoneG827392-Naphthylglyoxal hydrate2-NAPHTHYLGLYOXAL HYDRATE, 95+%2,2-dihydroxy-1-(2-naphthalene) ethyl ketone2-(2-naphthalenyl)-2-oxoacetaldehyde hydrate
Database identifiers
- CAS
16208-21-2- PubChem CID
- 66927323
- Nikkaji
- J760.655I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 108 · 108-111 °C
- Boiling point
- 377.3 · 377.3±22.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 10.92 · 10.92±0.41(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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