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2216-69-5 molecular structure
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1-methoxynaphthalene

ChemBase ID: 108221
Molecular Formular: C11H10O
Molecular Mass: 158.1965
Monoisotopic Mass: 158.07316494
SMILES and InChIs

SMILES:
COc1cccc2c1cccc2
Canonical SMILES:
COc1cccc2c1cccc2
InChI:
InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKey:
NQMUGNMMFTYOHK-UHFFFAOYSA-N

Cite this record

CBID:108221 http://www.chembase.cn/molecule-108221.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methoxynaphthalene
IUPAC Traditional name
naphthalene, 1-methoxy-
Synonyms
Methyl 1-naphthyl ether
1-Methoxynaphthalene
1-METHOXYNAPHTHALENE
1-萘甲醚
1-甲氧基萘
CAS Number
2216-69-5
EC Number
218-696-1
MDL Number
MFCD00003924
Beilstein Number
7748884
774884
PubChem SID
162094181
24849454
PubChem CID
16668

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8050513  LogD (pH = 7.4) 2.8050513 
Log P 2.8050513  Molar Refractivity 48.9714 cm3
Polarizability 20.473286 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
5°C expand Show data source
Boiling Point
135-137 °C/12 mmHg(lit.) expand Show data source
135-137°C/12mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
112 °C expand Show data source
233.6 °F expand Show data source
Density
1.09 g/mL at 25 °C(lit.) expand Show data source
1.094 expand Show data source
Refractive Index
1.6210 expand Show data source
n20/D 1.621 expand Show data source
n20/D 1.621(lit.) expand Show data source
RTECS
QJ9465500 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
≥98% expand Show data source
≥98.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C10H7OCH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206527 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 154571 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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