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119229-74-2 molecular structure
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4-chloro-3-fluoropyridine hydrochloride

ChemBase ID: 65048
Molecular Formular: C5H4Cl2FN
Molecular Mass: 167.9963632
Monoisotopic Mass: 166.97048271
SMILES and InChIs

SMILES:
c1cncc(c1Cl)F.Cl
Canonical SMILES:
Fc1cnccc1Cl.Cl
InChI:
InChI=1S/C5H3ClFN.ClH/c6-4-1-2-8-3-5(4)7;/h1-3H;1H
InChIKey:
YWWXNVPPEXEZPT-UHFFFAOYSA-N

Cite this record

CBID:65048 http://www.chembase.cn/molecule-65048.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-3-fluoropyridine hydrochloride
IUPAC Traditional name
4-chloro-3-fluoropyridine hydrochloride
Synonyms
4-Chloro-3-fluoropyridine hydrochloride
4-Chloro-3-fluoropyridine hydrochloride
4-氯-3-氟吡啶盐酸盐
CAS Number
119229-74-2
MDL Number
MFCD03092936
MFCD03453233
PubChem SID
162030787
PubChem CID
19360234

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5021971  LogD (pH = 7.4) 1.5023185 
Log P 1.50232  Molar Refractivity 28.9223 cm3
Polarizability 11.101813 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
ca 160°C subl. expand Show data source
Flash Point
>110°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 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
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P280H-P305+P351+P338 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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