2,6-Dimethoxynaphthalene

HCID 79627

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Basic information

CAS: 5486-55-5
Standard SMILES: COc1ccc2cc(OC)ccc2c1
InChIKey: AHKDVDYNDXGFPP-UHFFFAOYSA-N
Molecular formula: C12H12O2
Average molar mass: 188.22 g/mol
Monoisotopic mass: 188.08372962

Names & identifiers

Preferred name: 2,6-Dimethoxynaphthalene
IUPAC: 2,6-dimethoxynaphthalene
English name: 2,6-Dimethoxynaphthalene
Molecular formula: C12H12O2
Molecular weight: 188.22

Names & synonyms

2,6-Dimethoxynaphthalene5486-55-5DTXSID30203340RefChem:832692,6-DMONDTXCID30125831226-816-9Naphthalene, 2,6-dimethoxy-MFCD000040632,6-Dimethoxy-NaphthaleneNSC93947EINECS 226-816-9

Show more names

2,6-Dimethoxyphthalene2,6-DiMethoxunaphthalene2,6-DimethoxylNaphthalene2,6-Dimethoxynaphthalene>2,6-Dimethoxynaphthalene 99%

SCHEMBL4430702,6-Dimethoxynaphthalene, 99%HMS1581F122,6-Dimethoxy naphthaleneNaphthalene,6-dimethoxy-SCHEMBL5144913SCHEMBL29447161CS-M0857

Database identifiers

CAS: 5486-55-5
PubChem CID: 79627
DTXSID: DTXSID30203340
EC Number: 226-816-9
Nikkaji: J103.781A

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 152.5 · 152.5-153.5 °C (lit.)
Boiling point: 311.2 · 311.2±15.0 °C(Predicted)
Density: 1.097 · 1.097±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Light yellow to Light orange
InChI: 1S/C12H12O2/c1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-8H,1-2H3
InChIKey: AHKDVDYNDXGFPP-UHFFFAOYSA-N
SMILES: COc1ccc2cc(OC)ccc2c1
CAS DataBase Reference: 5486 · 5486-55-5(CAS DataBase Reference)
NIST Chemistry Reference: 2 · Naphthalene, 2,6-dimethoxy-(5486-55-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
HS Code: 2909309090 · 2909309090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2909309090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2,6-Dimethoxynaphthalene (2,6-DMON) is a methoxynaphthalene analogue mainly used in organic synthesis as a building block for the preparation of other naphthalene compounds. It is also used in sulfonation reactions to produce sodium and barium salts of 2,6-DMON-4-monosulfonic acid and 2,6-DMON-4,7-disulfonic acid.