CAS 7770-45-8 4-Hydroxy-1-naphthaldehyde (HCID 344290)

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Basic information

CAS: 7770-45-8
Standard SMILES: O=Cc1ccc(O)c2ccccc12
InChIKey: LORPDGZOLAPNHP-UHFFFAOYSA-N
Molecular formula: C11H8O2
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.0524295

Names & identifiers

Preferred name: 4-Hydroxy-1-naphthaldehyde
IUPAC: 4-hydroxynaphthalene-1-carbaldehyde
English name: 4-Hydroxy-1-naphthaldehyde
Molecular formula: C11H8O2
Molecular weight: 172.18

Names & synonyms

4-Hydroxy-1-naphthaldehyde4-Hydroxy-naphthaldehydeDTXSID50322380RefChem:99129DTXCID00273499626-164-9LORPDGZOLAPNHP-UHFFFAOYSA-N7770-45-84-hydroxynaphthalene-1-carbaldehydeMFCD000534861-Naphthalenecarboxaldehyde, 4-hydroxy-NSC401124

Show more names

4-HYDROXY-1-NAPHTHALDEHYD4-hydroxy-1-naphthalenecarboxaldehyde

4-formyl-1-naphthol4-hydroxynaphthaldehyde4-hydroxy naphthaldehyde4-Hydroxy-1-phthaldehyde4-hydroxy-1-naphtaldehyde4-hydroxy-1-napthaldehyde4-hydroxy- 1-naphthaldehydeSCHEMBL146732

Database identifiers

CAS: 7770-45-8
PubChem CID: 344290
DTXSID: DTXSID50322380
ChEMBL: CHEMBL4457110
EC Number: 626-164-9
Nikkaji: J1.652.347J

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 191

Physicochemical properties

Melting point: 179 · 179-182 °C (lit.)
Boiling point: 364.9 · 364.9±15.0 °C(Predicted)
Density: 1.288 · 1.288±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 6.66 · 6.66±0.40(Predicted)
Appearance: Off-white to light yellow Solid
InChI: 1S/C11H8O2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-7,13H
InChIKey: LORPDGZOLAPNHP-UHFFFAOYSA-N
SMILES: Oc1ccc(C=O)c2ccccc12
CAS DataBase Reference: 7770 · 7770-45-8(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-Hydroxy-naphthaldehyde(7770-45-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

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
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
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: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Hydroxy-1-naphthaldehyde was used in the preparation of racemic 1- and 2-naphthol analogues of tyrosine, 2-amino-3-(4-hydroxy-1-naphthyl)propanoic acid hydrochloride and 2-amino-3-(6-hydroxy-2-naphthyl)propanoic acid hydrobromide.