Ethyl 3-Hydroxy-2-naphthoate
Basic information
- CAS
7163-25-9- Standard SMILES
CCOC(=O)c1cc2ccccc2cc1O- InChIKey
CVEOWBRXZJEZRQ-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- Ethyl 3-Hydroxy-2-naphthoate
- IUPAC
- ethyl 3-hydroxynaphthalene-2-carboxylate
- English name
- 3-Hydroxy-2-naphthalenecarboxylic acid ethyl ester
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
Ethyl 3-Hydroxy-2-naphthoate7163-25-9DTXSID00353164RefChem:343437DTXCID50304227ethyl 3-hydroxynaphthalene-2-carboxylateMFCD002206082-Naphthalenecarboxylic acid, 3-hydroxy-, ethyl esterEnamine_0051353-Hydroxy-2-naphthoic acid ethyl esterBDBM50421654IDI1_007722
Show more names
3-Hydroxy-2-naphthalenecarboxylic acid ethyl ester3-Hydroxy-naphthalene-2-carboxylic acid ethyl ester
CS-10274CS-0298850AB01322870-02Ethyl 3-naphthol-2-carboxylateAMY17358Ethyl3-Hydroxy-2-naphthoateOprea1_079079Oprea1_495587
Database identifiers
- CAS
7163-25-9- PubChem CID
- 737040
- DTXSID
DTXSID00353164- Nikkaji
- J308.091I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 79 to · 79.0 to 83.0 °C
- Boiling point
- 291 °C · 291°C(lit.)
- Density
- 1.1652 · 1.1652 (rough estimate)
- refractive index
- 1.509 · 1.5090 (estimate)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- solubility
- soluble in Toluene
- form
- powder to crystal
- pka
- 9.53 · 9.53±0.40(Predicted)
- color
- White to Orange to Green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- HS Code
- 2918290090 · 2918290090
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
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Uses3-Hydroxy-2-naphthalenecarboxylic acid ethyl ester can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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