CAS 5060-82-2 7-Methoxy-2-naphthol (HCID 853173)

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Basic information

CAS: 5060-82-2
Standard SMILES: COc1ccc2ccc(O)cc2c1
InChIKey: UNFNRIIETORURP-UHFFFAOYSA-N
Molecular formula: C11H10O2
Average molar mass: 174.2 g/mol
Monoisotopic mass: 174.06807956

Names & identifiers

Preferred name: 7-Methoxy-2-naphthol
IUPAC: 7-methoxynaphthalen-2-ol
English name: 7-Methoxy-2-naphthol
Molecular formula: C11H10O2
Molecular weight: 174.2

Names & synonyms

7-Methoxy-2-naphthol5060-82-2DTXSID80357408RefChem:310949DTXCID50308467629-282-97-methoxynaphthalen-2-ol2-Naphthalenol, 7-methoxy-MFCD00075494SCHEMBL2169057-(methyloxy)-2-naphthalenol2-hydroxy-7-methoxynaphthalene

Show more names

7-METHOXY-2-PHTHOL3-Methoxy-6-naphthol7-Methoxy-2-naphthalenol7-Methoxy-2-naphthol 98%7-Methoxy-2-naphthol, 97%, 97%

AKOS001434501CS-W017503DS-18565EN300-164822-Methoxy-7-naphthol2-Hydroxy-7-methoxynaphthalene; 3-Methoxy-6-naphthol; 7-Methoxy-2-naphthalenol; 7-Methoxy-2-naphthol; 7-Methoxy-ss-naphthol;7-methoxy-beta-naphtholAM20040581

Database identifiers

CAS: 5060-82-2
PubChem CID: 853173
DTXSID: DTXSID80357408
ChEMBL: CHEMBL4226925
EC Number: 629-282-9
Nikkaji: J770.043A

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 116 · 116-119 °C(lit.)
Boiling point: 336.7 · 336.7±15.0 °C(Predicted)
Density: 1.193 · 1.193
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder or Chunks
pka: 9.45 · 9.45±0.40(Predicted)
color: White to brown
BRN: 2207279 · 2207279
InChI: 1S/C11H10O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h2-7,12H,1H3
InChIKey: UNFNRIIETORURP-UHFFFAOYSA-N
SMILES: COc1ccc2ccc(O)cc2c1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

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 40 reports by companies from 3 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

F: 8-9-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29071990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
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 · 2 items

Uses7-Methoxy-2-naphthol may be used in the synthesis of new 1H-benzo[f]chromene derivatives. It may be used in the synthesis of 7-methoxy-2-naphthyl (MN)-derived xylosides in which the methoxy group served as a marker for NMR characterization and UV detection.

General Description7-Methoxy-2-naphthol is a 7-substituted-2-naphthol. Crystal structure of 7-methoxy-2-naphthol has been reported. Reaction of 7-methoxy-2-naphthol with N-methyl-N-phenylhydrazine under thermal conditions has been reported.