Phenyl 2-hydroxy-3-naphthoate
Basic information
- CAS
7260-11-9- Standard SMILES
O=C(Oc1ccccc1)c1cc2ccccc2cc1O- InChIKey
SRMZHGJLSDITLO-UHFFFAOYSA-N- Molecular formula
- C17H12O3
- Average molar mass
- 264.27 g/mol
- Monoisotopic mass
- 264.07864424
Names & identifiers
- Preferred name
- Phenyl 2-hydroxy-3-naphthoate
- IUPAC
- phenyl 3-hydroxynaphthalene-2-carboxylate
- English name
- Phenyl 3-hydroxy-2-naphthoate
- Molecular formula
- C17H12O3
- Molecular weight
- 264.28
Names & synonyms
Phenyl 3-hydroxy-2-naphthoate7260-11-9phenyl 3-hydroxynaphthalene-2-carboxylate2-Naphthalenecarboxylic acid, 3-hydroxy-, phenyl esterBZP4PT5H9Gphenyl 2-hydroxy-3-naphthoate2-Naphthoic acid, 3-hydroxy-, phenyl esterNSC-328440DTXSID7064609SRMZHGJLSDITLO-UHFFFAOYSA-EINECS 230-681-1NSC 328440
Show more names
PHENYL 3-HYDROXY-2-NAPHTHOATE, 98+%2-HYDROXY-3-NAPHTHOIC ACID PHENYL ESTER3-Hydroxy-2-naphthoic acid phenyl ester3-Hydroxynaphthalene-2-carboxylic acid phenyl ester3-Hydroxy-2-naphthalenecarboxylic acid phenyl ester
RefChem:861549DTXCID5047320230-681-1InChI=1/C17H12O3/c18-16-11-13-7-5-4-6-12(13)10-15(16)17(19)20-14-8-2-1-3-9-14/h1-11,18HMFCD00004098NSC328440Oprea1_082300phenyl-3-hydroxy-2-naphthoate
Database identifiers
- CAS
7260-11-9- PubChem CID
- 81680
- DTXSID
DTXSID7064609- UNII
- BZP4PT5H9G
- EC Number
- 230-681-1
- Nikkaji
- J167.289D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 129 · 129-132 °C (lit.)
- Boiling point
- 257 · 257-261 °C/160 mmHg (lit.)
- Density
- 1.1852 · 1.1852 (rough estimate)
- refractive index
- 1.549 · 1.5490 (estimate)
- pka
- 8.31 · 8.31±0.40(Predicted)
- form
- solid
- InChI
- 1S/C17H12O3/c18-16-11-13-7-5-4-6-12(13)10-15(16)17(19)20-14-8-2-1-3-9-14/h1-11,18H
- InChIKey
- SRMZHGJLSDITLO-UHFFFAOYSA-N
- SMILES
- Oc1cc2ccccc2cc1C(=O)Oc3ccccc3
- CAS DataBase Reference
- 7260 · 7260-11-9
- FDA UNII
- 4 PT5H9G · BZP4PT5H9G
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxylic acid, 3-hydroxy-, phenyl ester (7260-11-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2918290000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxylic acid, 3-hydroxy-, phenyl ester: INACTIVE
Applications
UsesPhenyl 3-hydroxy-2-naphthoate was used in the synthesis of a series of new azoic coupling components, derivatives of naphthol AS.
Related reactions
1 records
Compound notes
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