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1076199-85-3 molecular structure
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7-chloro-4-nitroquinoline

ChemBase ID: 164409
Molecular Formular: C9H5ClN2O2
Molecular Mass: 208.6012
Monoisotopic Mass: 208.00395509
SMILES and InChIs

SMILES:
c1cc(cc2c1c(ccn2)[N+](=O)[O-])Cl
Canonical SMILES:
Clc1ccc2c(c1)nccc2[N+](=O)[O-]
InChI:
InChI=1S/C9H5ClN2O2/c10-6-1-2-7-8(5-6)11-4-3-9(7)12(13)14/h1-5H
InChIKey:
DNMLUVBXPFQOKB-UHFFFAOYSA-N

Cite this record

CBID:164409 http://www.chembase.cn/molecule-164409.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-4-nitroquinoline
IUPAC Traditional name
7-chloro-4-nitroquinoline
Synonyms
7-Chloro-4-nitroquinoline
CAS Number
1076199-85-3
PubChem SID
162258544
PubChem CID
29976142

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C374830 external link Add to cart
PubChem 29976142 external link
Data Source Data ID Price
TRC
C374830 external link Add to cart Please log in.
Data Source Data ID
PubChem 29976142 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6749272  LogD (pH = 7.4) 2.6749294 
Log P 2.6749294  Molar Refractivity 52.1088 cm3
Polarizability 20.69239 Å3 Polar Surface Area 58.71 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Tan Solid expand Show data source
Melting Point
88-90°C expand Show data source
Storage Condition
-20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C374830 external link
7-Chloro-4-nitroquinoline is used in the synthesis of aminonitropyridine.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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