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91-62-3 molecular structure
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6-methylquinoline

ChemBase ID: 107585
Molecular Formular: C10H9N
Molecular Mass: 143.18516
Monoisotopic Mass: 143.07349929
SMILES and InChIs

SMILES:
Cc1ccc2ncccc2c1
Canonical SMILES:
Cc1ccc2c(c1)cccn2
InChI:
InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3
InChIKey:
LUYISICIYVKBTA-UHFFFAOYSA-N

Cite this record

CBID:107585 http://www.chembase.cn/molecule-107585.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methylquinoline
IUPAC Traditional name
6-methylquinoline
Synonyms
p-Toluquinoline
6-Methylquinoline
6-METHYLQUINOLINE
对甲基喹啉
6-甲基喹啉
CAS Number
91-62-3
EC Number
202-084-6
MDL Number
MFCD00006804
Beilstein Number
110336
PubChem SID
24884546
162094070
24901302
24846839
PubChem CID
7059
FEMA ID
2744
Council of Europe Number
2339
Flavis Number
14.042

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5855634  LogD (pH = 7.4) 2.6435251 
Log P 2.644322  Molar Refractivity 45.0205 cm3
Polarizability 18.842707 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
green-yellow expand Show data source
Melting Point
-22°C expand Show data source
Boiling Point
256-260 °C(lit.) expand Show data source
257-259°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.066 expand Show data source
1.067 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.6150 expand Show data source
n20/D 1.614(lit.) expand Show data source
n20/D 1.615 expand Show data source
Vapor Density
>1 (vs air) expand Show data source
Hydrophobicity(logP)
2.528 expand Show data source
Storage Warning
Light Sensitive expand Show data source
RTECS
AI5950000 expand Show data source
VC0550000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) 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
German water hazard class
3 expand Show data source
Risk Statements
22-36/38-68 expand Show data source
22-38 expand Show data source
R:22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
S:25-26-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H341 expand Show data source
H302-H315 expand Show data source
GHS Precautionary statements
P280-P301+P310-P305+P351+P338-P302+P352-P405-P501A 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
Regulation Compliance
EU Regulation 1334/2008 & 178/2002 expand Show data source
Allergens
no known allergens expand Show data source
Purity
~90% (GC) expand Show data source
≥98% expand Show data source
95% expand Show data source
98% expand Show data source
Grade
FG expand Show data source
Halal expand Show data source
NI expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H9N expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204249 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - W274402 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
100, 250 g in glass bottle
Sigma Aldrich - 108928 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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