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84086-97-5 molecular structure
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3,7-dichloro-8-(dichloromethyl)quinoline

ChemBase ID: 167056
Molecular Formular: C10H5Cl4N
Molecular Mass: 280.9654
Monoisotopic Mass: 278.91760989
SMILES and InChIs

SMILES:
c12c(cc(cn1)Cl)ccc(c2C(Cl)Cl)Cl
Canonical SMILES:
Clc1cnc2c(c1)ccc(c2C(Cl)Cl)Cl
InChI:
InChI=1S/C10H5Cl4N/c11-6-3-5-1-2-7(12)8(10(13)14)9(5)15-4-6/h1-4,10H
InChIKey:
LWFCXBKKDAIZJE-UHFFFAOYSA-N

Cite this record

CBID:167056 http://www.chembase.cn/molecule-167056.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,7-dichloro-8-(dichloromethyl)quinoline
IUPAC Traditional name
3,7-dichloro-8-(dichloromethyl)quinoline
Synonyms
3,7-Dichloro-8-(dichloromethyl)quinoline
CAS Number
84086-97-5
PubChem SID
162261189
PubChem CID
13090785

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D434105 external link Add to cart
PubChem 13090785 external link
Data Source Data ID Price
TRC
D434105 external link Add to cart Please log in.
Data Source Data ID
PubChem 13090785 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5949116  LogD (pH = 7.4) 4.594932 
Log P 4.594932  Molar Refractivity 64.5099 cm3
Polarizability 26.235548 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)
Solubility
Chlororform expand Show data source
Dichloromethane expand Show data source
Apperance
White Solid expand Show data source
Melting Point
142-144°C expand Show data source
Storage Condition
Hygroscopic, -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 - D434105 external link
Dichloroquinoline derivatives for use as herbicides.This compound is not stable in methanol.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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