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634-47-9 molecular structure
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2-chloro-4-methylquinoline

ChemBase ID: 110493
Molecular Formular: C10H8ClN
Molecular Mass: 177.63022
Monoisotopic Mass: 177.03452694
SMILES and InChIs

SMILES:
Cc1c2ccccc2nc(Cl)c1
Canonical SMILES:
Clc1cc(C)c2c(n1)cccc2
InChI:
InChI=1S/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey:
PFEIMKNQOIFKSW-UHFFFAOYSA-N

Cite this record

CBID:110493 http://www.chembase.cn/molecule-110493.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-methylquinoline
IUPAC Traditional name
2-chloro-4-methylquinoline
Synonyms
2-Chloro-4-methylquinoline
2-Chlorolepidine
2-Chloro-4-methylquinoline
2-Chlorolepidine
2-CHLOROLEPIDINE
2-chloro-4-methylquinoline
2-氯-4-甲基喹啉
4-甲基-2-氯-喹啉
2-氯-4-甲基喹啉
4-甲基-2-氯-喹啉
CAS Number
634-47-9
EC Number
211-209-3
MDL Number
MFCD00006742
Beilstein Number
118333
PubChem SID
162095975
24855000
24892734
PubChem CID
69449

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.468512  LogD (pH = 7.4) 3.4685433 
Log P 3.4685438  Molar Refractivity 50.8866 cm3
Polarizability 20.659557 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
54-56°C expand Show data source
55-58 °C expand Show data source
55-58 °C(lit.) expand Show data source
Boiling Point
296 °C(lit.) expand Show data source
296°C 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
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
26-37 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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
≥99.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H8ClN expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215250 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - C48805 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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