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71701-93-4 molecular structure
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2,5-dichloro-3-(difluoromethyl)pyridine

ChemBase ID: 53687
Molecular Formular: C6H3Cl2F2N
Molecular Mass: 197.9975264
Monoisotopic Mass: 196.9610609
SMILES and InChIs

SMILES:
c1(c(cc(cn1)Cl)C(F)F)Cl
Canonical SMILES:
Clc1cnc(c(c1)C(F)F)Cl
InChI:
InChI=1S/C6H3Cl2F2N/c7-3-1-4(6(9)10)5(8)11-2-3/h1-2,6H
InChIKey:
GDFCUTHAIBYLSX-UHFFFAOYSA-N

Cite this record

CBID:53687 http://www.chembase.cn/molecule-53687.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dichloro-3-(difluoromethyl)pyridine
IUPAC Traditional name
2,5-dichloro-3-(difluoromethyl)pyridine
Synonyms
2,5-Dichloro-3-(difluoromethyl)pyridine
2,5-Dichloro-3-(difluoromethyl)pyridine
2,5-Dichloro-alpha,alpha-difluoro-3-picoline
CAS Number
71701-93-4
MDL Number
MFCD18384828
PubChem SID
162058450
PubChem CID
23053222

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23053222 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.572928  LogD (pH = 7.4) 2.572928 
Log P 2.572928  Molar Refractivity 39.656 cm3
Polarizability 14.855154 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)
Boiling Point
69°C/7mm expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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