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10075-62-4 molecular structure
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1,4-dimethoxynaphthalene

ChemBase ID: 81293
Molecular Formular: C12H12O2
Molecular Mass: 188.22248
Monoisotopic Mass: 188.08372962
SMILES and InChIs

SMILES:
O(c1ccc(c2ccccc12)OC)C
Canonical SMILES:
COc1ccc(c2c1cccc2)OC
InChI:
InChI=1S/C12H12O2/c1-13-11-7-8-12(14-2)10-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKey:
FWWRTYBQQDXLDD-UHFFFAOYSA-N

Cite this record

CBID:81293 http://www.chembase.cn/molecule-81293.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-dimethoxynaphthalene
IUPAC Traditional name
1,4-dimethoxynaphthalene
Synonyms
1,4-dimethoxynaphthalene
1,4-Dimethoxynaphthalene
1,4-二甲氧基萘
CAS Number
10075-62-4
EC Number
233-209-2
MDL Number
MFCD00052378
Beilstein Number
2048082
PubChem SID
162068412
24866176
PubChem CID
82337

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.64738  LogD (pH = 7.4) 2.64738 
Log P 2.64738  Molar Refractivity 55.4346 cm3
Polarizability 22.923864 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
84-85°C expand Show data source
86-90 °C(lit.) expand Show data source
Fluorescence
λex 318 nm; λem 394 nm in ethanol (1 mg/mL) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99.5% (HPLC) expand Show data source
96% expand Show data source
97% expand Show data source
Grade
for fluorescence expand Show data source
puriss. expand Show data source
Empirical Formula (Hill Notation)
C12H12O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 468460 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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