Basic information
- CAS
613-14-9- Standard SMILES
Oc1ccc2cc3ccccc3cc2c1- InChIKey
BQBWUVWMUXGILF-UHFFFAOYSA-N- Molecular formula
- C14H10O
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.07316494
Overview
2-anthrol is an anthrol.
Names & identifiers
- Preferred name
- 2-Anthrol
- IUPAC
- anthracen-2-ol
- English name
- 2-Hydroxyanthracene
- Molecular formula
- C14H10O
- Molecular weight
- 194.23
Names & synonyms
anthracen-2-ol2-Hydroxyanthracene2-Anthracenol2-Anthrol2-Anthranolbeta-Hydroxyanthracene.beta.-Hydroxyanthracene2-Anthracenol (9CI)2-Anthrol (8CI)A1C592Z5Y5NSC 229384NSC-229384
Show more names
Anthracene-2-ol
UNII-A1C592Z5Y5CHEBI:37091DTXSID50210192RefChem:85500DTXCID50132683975-264-1BQBWUVWMUXGILF-UHFFFAOYSA-N613-14-9
Database identifiers
- CAS
613-14-9- PubChem CID
- 99503
- DTXSID
DTXSID50210192- ChEMBL
CHEMBL4169255- ChEBI
CHEBI:37091- UNII
- A1C592Z5Y5
- EC Number
- 975-264-1
- Nikkaji
- J11.368I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 166 °C · 166 °C(Solv: ethanol (64-17-5))
- Boiling point
- 290.68 °C · 290.68°C (rough estimate)
- Density
- 1.055 · 1.0550 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 9.57 · 9.57±0.30(Predicted)
- color
- Light yellow to Brown
- Water Solubility
- 91.67 mg/L · 91.67mg/L(20 ºC)
- FDA UNII
- 1 C592Z5Y5 · A1C592Z5Y5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2907.19 · 2907.19.8000
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2907.19.8000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers58 total
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Additional notes
DefinitionChEBI: 2-anthrol is an anthrol.
Related reactions
5 records
Compound notes
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