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611-32-5 molecular structure
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8-methylquinoline

ChemBase ID: 9850
Molecular Formular: C10H9N
Molecular Mass: 143.18516
Monoisotopic Mass: 143.07349929
SMILES and InChIs

SMILES:
Cc1c2c(ccc1)cccn2
Canonical SMILES:
Cc1cccc2c1nccc2
InChI:
InChI=1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3
InChIKey:
JRLTTZUODKEYDH-UHFFFAOYSA-N

Cite this record

CBID:9850 http://www.chembase.cn/molecule-9850.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methylquinoline
IUPAC Traditional name
8-methylquinoline
Synonyms
8-Methylquinoline
o-Toluquinoline
8-Methylquinoline
邻甲基喹啉
8-甲基喹啉
CAS Number
611-32-5
EC Number
210-264-0
MDL Number
MFCD00006810
Beilstein Number
111340
PubChem SID
24855833
24884562
160973157
PubChem CID
11910

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5977492  LogD (pH = 7.4) 2.6437001 
Log P 2.644322  Molar Refractivity 45.0205 cm3
Polarizability 18.844322 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-80 °C(lit.) expand Show data source
-80°C expand Show data source
-80°C expand Show data source
-81 - -80°C expand Show data source
Boiling Point
134-136°C/25mm expand Show data source
135-136°C/25mm expand Show data source
143 °C/34 mmHg(lit.) expand Show data source
Flash Point
105 °C expand Show data source
105°C(221°F) expand Show data source
221 °F expand Show data source
Density
1.052 expand Show data source
1.052 g/mL at 25 °C(lit.) expand Show data source
1.074 expand Show data source
Refractive Index
1.6145 expand Show data source
1.6150 expand Show data source
n20/D 1.614(lit.) expand Show data source
n20/D 1.615 expand Show data source
Hydrophobicity(logP)
2.528 expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
VC0562000 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
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
36/38-68 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H341-H315-H319 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥98.0% (GC) expand Show data source
95% expand Show data source
97% expand Show data source
97+% expand Show data source
Grade
purum 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 - 05205388 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 261769 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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