5,6,7,8-Tetrahydro-1-naphthol
Completing data — refresh the page later to see the latest
Basic information
- CAS
529-35-1- Standard SMILES
Oc1cccc2c1CCCC2- InChIKey
SCWNNOCLLOHZIG-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Overview
5,6,7,8-tetrahydro-1-naphthol is 1-naphthol hydrogenated at C-5, -6, -7 and -8.
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydro-1-naphthol
- IUPAC
- 5,6,7,8-tetrahydronaphthalen-1-ol
- English name
- 5,6,7,8-Tetrahydro-1-naphthol
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
5,6,7,8-Tetrahydro-1-naphthol5,6,7,8-tetrahydronaphthalen-1-ol5-Hydroxytetralintetralin-5-ol1-Naphthalenol, 5,6,7,8-tetrahydro-5,6,7,8-Tetrahydro-1-naphthalenol5,6,7,8-tetrahydronaphtholUNII-1R7B5I98HV1R7B5I98HV1,2,3,4-Tetrahydro-5-hydroxynaphthalene1-hydroxy-5,6,7,8-tetrahydronaphthalene1,2,3,4-tetrahydro-5-naphthol
Show more names
Tetrahydro-alpha-naphthol5,6,7,8-TETRAHYDRO-1-NAPTHOL
EINECS 208-461-1NSC 28822NSC-28822DTXSID8074570CHEBI:459005,6,7,8-TetrahydronaphthalenolNaphthalenol, 5,6,7,8-tetrahydro-5,6,7,8-TETRAHYDRO-1-HYDROXYNAPHTHALENE
Database identifiers
- CAS
529-35-1- PubChem CID
- 68258
- DTXSID
DTXSID8074570- ChEMBL
CHEMBL449132- ChEBI
CHEBI:45900- UNII
- 1R7B5I98HV
- EC Number
- 208-461-1
- Nikkaji
- J6.685K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Melting point
- 69 · 69-71 °C(lit.)
- Boiling point
- 264 · 264-265 °C705 mm Hg(lit.)
- Density
- 1.0556 · 1.0556
- refractive index
- 1.5 · 1.5000 (estimate)
- Flash point
- 264 · 264-265°C/705mm
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 1 · pK1:10.28 (25°C)
- color
- Off-White to Pale Orange
- BRN
- 1865081 · 1865081
- InChI
- InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
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
Danger
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 135 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Naphthalenol, 5,6,7,8-tetrahydro-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2907199090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Naphthalenol, 5,6,7,8-tetrahydro-: ACTIVE
Applications
Uses5,6,7,8-Tetrahydro-1-naphthol is a useful chemical intermediate, widely applied in organic synthesis and also used as a fuel additive.
Uses5,6,7,8-Tetrahydro-1-naphthalenol was used as a reagent in the synthesis of phosphonamidate and phosphonodiamidate prodrugs of adefovir and tenofovir which are used in the treatment of HIV infections. Also used in the synthesis of tetrahydronaphthalene-1-ol derivatives which were found to be promising potent antitumor agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
90 records
Compound notes
Loading…