Phenyl 1-hydroxy-2-naphthoate
Basic information
- CAS
132-54-7- Standard SMILES
O=C(Oc1ccccc1)c1ccc2ccccc2c1O- InChIKey
QHDYIMWKSCJTIM-UHFFFAOYSA-N- Molecular formula
- C17H12O3
- Average molar mass
- 264.27 g/mol
- Monoisotopic mass
- 264.07864424
Names & identifiers
- Preferred name
- Phenyl 1-hydroxy-2-naphthoate
- IUPAC
- phenyl 1-hydroxynaphthalene-2-carboxylate
- English name
- Phenyl 1-hydroxy-2-naphthoate
- Molecular formula
- C17H12O3
- Molecular weight
- 264.28
Names & synonyms
Phenyl 1-hydroxy-2-naphthoate132-54-71-Hydroxy-2-naphthoic acid phenyl ester2-Naphthalenecarboxylic acid, 1-hydroxy-, phenyl esterPhenyl 1-hydroxy-2-naphthalenecarboxylate2-phenoxycarbonyl-1-naphtholDTXSID10388762-Naphthoic acid, 1-hydroxy-, phenyl ester0749HK9B6BNSC 1867NSC-1867EINECS 205-065-0
Show more names
F-201(HNP)AON PHENYL ESTER1-Hydroxy-2-NaphthoicPhenyl 1-Hydroxy-2-phthoatePhenyl1-Hydroxy-2-naphthoate>Phenyl 1-hydroxy-2-naphthoate 99%Phenyl 1-hydroxy-2-naphthoate,97%1-HYDROXY-2-NAPTHOIC ACID PHENYL ESTER
PHENYL 1-HYDROXY-2-NAPHTHALATEDTXCID9018876RefChem:8615422-Naphthoic acid, 1-hydroxy-, phenyl ester (8CI)205-065-0phenyl 1-hydroxynaphthalene-2-carboxylateMFCD00014310phenyl-1-hydroxy-2-naphthate
Database identifiers
- CAS
132-54-7- PubChem CID
- 67236
- DTXSID
DTXSID1038876- ChEMBL
CHEMBL3186248- UNII
- 0749HK9B6B
- EC Number
- 205-065-0
- Nikkaji
- J167.288F
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
- 94 · 94-96 °C (lit.)
- Boiling point
- 367.51 °C · 367.51°C (rough estimate)
- Density
- 1.1852 · 1.1852 (rough estimate)
- refractive index
- 1.549 · 1.5490 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 7.71 · 7.71±0.50(Predicted)
- color
- White to Light yellow
- BRN
- 2217072 · 2217072
- InChI
- 1S/C17H12O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)17(19)20-13-7-2-1-3-8-13/h1-11,18H
- InChIKey
- QHDYIMWKSCJTIM-UHFFFAOYSA-N
- SMILES
- Oc1c(ccc2ccccc12)C(=O)Oc3ccccc3
- CAS DataBase Reference
- 132 · 132-54-7(CAS DataBase Reference)
- FDA UNII
- 749 HK9B6B · 0749HK9B6B
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxylic acid, 1-hydroxy-, phenyl ester (132-54-7)
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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29182900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxylic acid, 1-hydroxy-, phenyl ester: ACTIVE
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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