Basic information
- CAS
574-96-9- Standard SMILES
O=Cc1ccc2ccccc2c1O- InChIKey
OITQDWKMIPXGFL-UHFFFAOYSA-N- Molecular formula
- C11H8O2
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.05242949
Names & identifiers
- Preferred name
- 1-Hydroxy-2-naphthaldehyde
- IUPAC
- 1-hydroxynaphthalene-2-carbaldehyde
- English name
- 1-HYDROXY-2-NAPHTHALDEHYDE
- Molecular formula
- C11H8O2
- Molecular weight
- 172.18
Names & synonyms
1-Hydroxy-2-naphthaldehyde574-96-91-hydroxynaphthalene-2-carbaldehydeCHEBI:28091DTXSID70332062RefChem:75967DTXCID20283156679-991-21-Naphthol-2-carboxaldehydeMFCD000923251-hydroxy-2-naphtoaldehydeSCHEMBL589343
Show more names
Hydroxynaphthaldehyde1-NAPHTHOL-2-ALDEHYDE1-Hydroxy-2-naphthaldehyde>1-HYDROXY-2-NAPHTHALDEHYDE 98+%2-Naphthalenecarboxaldehyde, 1-hydroxy-
AKOS006228781H0839EN300-194451(z)-2-(hydroxylmethylene)naphthalen-1(2h)-oneZ1201619052ACMC-209lymAC1L9E7TAC1Q78HN
Database identifiers
- CAS
574-96-9- PubChem CID
- 443195
- DTXSID
DTXSID70332062- ChEBI
CHEBI:28091- EC Number
- 679-991-2
- Nikkaji
- J2.385.173C、J534.105A
Properties
Computed structural properties
- XLogP
- 2.6
- 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
Physicochemical properties
- Melting point
- 56 °C · 56°C
- Boiling point
- 317 · 317.0±15.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 8.37 · 8.37±0.50(Predicted)
- form
- Solid
- color
- Yellow
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
- Risk Statements
- 36 · 36/37/38-52
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2912490090 · 2912490090
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 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (33.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (33.3%)；Aquatic Acute 1 (66.7%)；Aquatic Chronic 1 (33.3%)
Safety data
- hs_code
- 2912490090
- risk_code
- 36/37/38-52
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- safety_code
- 26-36/37/39
- Hazard statements
Chemistry & industry
Applications
Uses1-Hydroxy-2-naphthaldehyde is used as a reagent in the synthesis of naphthofurancarboxamides as melanin concentrating hormone receptor 1 antagonists. Also used as a reagent in the synthesis of hydropyridinylphenoxyacetohydrazones which show anticonvulsant, anti-inflammatory, and analgesic activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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