3-Hydroxynaphthalene-2-carbaldehyde
Basic information
- CAS
581-71-5- Standard SMILES
O=Cc1cc2ccccc2cc1O- InChIKey
QCUNDLUTTXSPFM-UHFFFAOYSA-N- Molecular formula
- C11H8O2
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.05242949
Names & identifiers
- Preferred name
- 3-Hydroxynaphthalene-2-carbaldehyde
- IUPAC
- 3-hydroxynaphthalene-2-carbaldehyde
- English name
- 3-hydroxynaphthalene-2-carbaldehyde
- Molecular formula
- C11H8O2
- Molecular weight
- 172.18
Names & synonyms
3-hydroxynaphthalene-2-carbaldehydeRefChem:502575834-342-43-Hydroxy-2-naphthaldehyde581-71-5MFCD000793463-Hydroxynaphthalene-2-carboxaldehydeSCHEMBL668600DTXSID10311255AKOS006274387SY028654CS-0146606
Show more names
2-Hydroxy-3-naphthaldehyde3-hydroxynaphthalene-2-carbaldehyde ISO 9001：2015 REACH
(e)-3-(hydroxymethylene)naphthalen-2(3h)-oneEN300-122706Z11981501742-naphthalenecarboxaldehyde, 3-hydroxy-3-Naphthol-2-carboxaldehydeEC-000.14892-naphthalenecarboxa3-hydroxy-2-naphthalenecarboxaldehyde
Database identifiers
- CAS
581-71-5- PubChem CID
- 315482
- DTXSID
DTXSID10311255- ChEMBL
CHEMBL1899554- EC Number
- 834-342-4
- Nikkaji
- J1.284.968K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 317 · 317.0±15.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 7.77 · 7.77±0.40(Predicted)
- form
- solid
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C11H8O2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-7,13H
- InChIKey
- QCUNDLUTTXSPFM-UHFFFAOYSA-N
- SMILES
- OC1=CC2=CC=CC=C2C=C1C=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- WGK Germany
- 3 · WGK 3
- HS Code
- 2912490090 · 2912490090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1
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
H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, 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 Dam. 1 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2912490090
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
Uses3-Hydroxynaphthalene-2-carbaldehyde is a derivative of Naphthalene (N345600), an abundant polycyclic aromatic hydrocarbon that is persistent, bioaccumulative, toxic and found in tobacco smoke and urban air.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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