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90-12-0 molecular structure
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1-methylnaphthalene

ChemBase ID: 125163
Molecular Formular: C11H10
Molecular Mass: 142.1971
Monoisotopic Mass: 142.07825032
SMILES and InChIs

SMILES:
c1cccc2cccc(c12)C
Canonical SMILES:
Cc1cccc2c1cccc2
InChI:
InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
InChIKey:
QPUYECUOLPXSFR-UHFFFAOYSA-N

Cite this record

CBID:125163 http://www.chembase.cn/molecule-125163.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methylnaphthalene
IUPAC Traditional name
1-methylnaphthalene
Synonyms
α-methylnaphthalene
1-Methylnaphthalene
1-Methylnaphthalene
Naphthalene-1-sulfonic acid hydrate
1-甲基萘
萘-1-磺酸水合物
CAS Number
90-12-0
6036-48-2
EC Number
201-610-1
201-966-8
MDL Number
MFCD00003987
MFCD00004034
Beilstein Number
506793
Merck Index
146376
PubChem SID
24901543
162219513
24869410
24897036
24867849
24885456
PubChem CID
7002
CHEBI ID
50717
CHEMBL
383808
Chemspider ID
6736
FEMA ID
3193
KEGG ID
C14082
Wikipedia Title
1-Methylnaphthalene
Council of Europe Number
11009
Flavis Number
1.014

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.476144  LogD (pH = 7.4) 3.476144 
Log P 3.476144  Molar Refractivity 47.5494 cm3
Polarizability 19.82771 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
-22 °C(lit.) expand Show data source
-22°C expand Show data source
-22°C expand Show data source
89-91°C(dried) expand Show data source
Boiling Point
240-243 °C(lit.) expand Show data source
240-243°C expand Show data source
240-243°C expand Show data source
Flash Point
179.6 °F expand Show data source
82 °C expand Show data source
82°C(179°F) expand Show data source
Auto Ignition Point
984 °F expand Show data source
Density
1.001 g/mL expand Show data source
1.001 g/mL at 25 °C(lit.) expand Show data source
1.024 expand Show data source
Refractive Index
1.6150 expand Show data source
n20/D 1.615(lit.) expand Show data source
Vapor Pressure
4.91 expand Show data source
Organoleptic
earthy expand Show data source
RTECS
QJ9630000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3082 expand Show data source
UN2585 expand Show data source
UN3082 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
8 expand Show data source
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
22-36/37/38-42/43-51/53 expand Show data source
22-36/38-51/53 expand Show data source
34 expand Show data source
R22 R42 R43 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
23-26-36/37-45-61 expand Show data source
26-36/37-61 expand Show data source
S7 S36 S37 S39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H227-H401-H411 expand Show data source
H302-H315-H319-H334-H335 expand Show data source
H302-H315-H319-H334-H335-H411 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P210-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P261-P273-P305 + P351 + P338-P342 + P311 expand Show data source
P261-P305 + P351 + P338-P342 + P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3082 9/PG 3 expand Show data source
Gene Information
human ... CYP1A2(1544) expand Show data source
Purity
≥90% expand Show data source
≥97.0% (GC) expand Show data source
95% expand Show data source
96% expand Show data source
98% expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
purum expand Show data source
Packaging
ampule of 500 mg expand Show data source
Impurities
≤3% 2-methylnaphthalene expand Show data source
Linear Formula
C10H7CH3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - W319309 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in poly drum
Sigma Aldrich - M56808 external link
Packaging
100, 500 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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