1,6-Dimethoxynaphthalene

HCID 296916
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Basic information

CAS
3900-49-0
Standard SMILES
COc1ccc2c(OC)cccc2c1
InChIKey
RBUFUWIWCCOVOS-UHFFFAOYSA-N
Molecular formula
C12H12O2
Average molar mass
188.22 g/mol
Monoisotopic mass
188.08372962

Names & identifiers

Preferred name
1,6-Dimethoxynaphthalene
IUPAC
1,6-dimethoxynaphthalene
English name
2,5-Dimethoxynaphthalene
Molecular formula
C12H12O2
Molecular weight
188.22

Names & synonyms

1,6-DimethoxynaphthaleneDTXSID30304821RefChem:417589DTXCID00255952625-845-83900-49-02,5-DimethoxynaphthaleneNaphthalene, 1,6-dimethoxy-MFCD000863303,8-DimethoxynaphthaleneNSC-1674771,6-Dimethoxyl naphthalene
Show more names
NSC 167477Rotigotine Impurity 16Rotigotine Impurity 291,6-DimethoxylNaphthalene2,5-DIMETHOXY NAPHTHALENE2,5-diMethoxylnaphthalene2,5(1,6)-Dimethoxy Naphthalene
1,6-Dimethoxy naphthalene1,6-Dimethoxy-NaphthaleneNSC1674771,6-dimethoxynaphtalene1,6-dimethoxynapthaleneMaybridge3_002840S7LBT69DXDSCHEMBL443271

Database identifiers

CAS
3900-49-0
PubChem CID
296916
DTXSID
DTXSID30304821
UNII
S7LBT69DXD
EC Number
625-845-8
Nikkaji
J3.020.392E

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
56 · 56-60 °C(lit.)
Boiling point
123 °C · 123°C 0,8mm
Density
1.097 · 1.097±0.06 g/cm3(Predicted)
Flash point
123 °C/0.8mm · 123°C/0.8mm
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform, Dichloromethane

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2909309090
risk_code
41
Signal word
Danger
Symbol(GHS)
GHS05

Chemistry & industry

Applications

UsesIntermediate in the production of tetralin derivatives

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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