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1128-74-1 molecular structure
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7-fluoro-2-methylquinoline

ChemBase ID: 93328
Molecular Formular: C10H8FN
Molecular Mass: 161.1756232
Monoisotopic Mass: 161.06407748
SMILES and InChIs

SMILES:
n1c(ccc2c1cc(cc2)F)C
Canonical SMILES:
Fc1ccc2c(c1)nc(cc2)C
InChI:
InChI=1S/C10H8FN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3
InChIKey:
AYSKNDXTWPNRKG-UHFFFAOYSA-N

Cite this record

CBID:93328 http://www.chembase.cn/molecule-93328.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-fluoro-2-methylquinoline
IUPAC Traditional name
7-fluoro-2-methylquinoline
Synonyms
7-Fluoro-2-methylquinoline
7-Fluoro-2-methylquinoline
7-氟-2-甲基喹啉
CAS Number
1128-74-1
MDL Number
MFCD02683029
PubChem SID
162080013
24880274
PubChem CID
2779075

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2779075 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3553903  LogD (pH = 7.4) 2.4043107 
Log P 2.4049726  Molar Refractivity 44.7872 cm3
Polarizability 18.363785 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
47-51 °C(lit.) expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
26-36 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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C10H8FN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 566047 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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