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460-16-2 molecular structure
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1-chloro-2-fluoroethene

ChemBase ID: 7167
Molecular Formular: C2H2ClF
Molecular Mass: 80.4886832
Monoisotopic Mass: 79.98290596
SMILES and InChIs

SMILES:
C(=C\F)/Cl
Canonical SMILES:
F/C=C/Cl
InChI:
InChI=1S/C2H2ClF/c3-1-2-4/h1-2H/b2-1+
InChIKey:
MTKHTBWXSHYCGS-OWOJBTEDSA-N

Cite this record

CBID:7167 http://www.chembase.cn/molecule-7167.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-2-fluoroethene
(E)-1-chloro-2-fluoroethene
IUPAC Traditional name
1-chloro-2-fluoroethene
(E)-1-chloro-2-fluoroethene
Synonyms
E/Z 1-Chloro-2-fluoroethylene (FC1131) 97%
(Z)-1-Chloro-2-fluoroethene
cis-1-Chloro-2-fluoroethylene
(Z)-1-Chloro-2-fluoroethylene 99%
trans-1-Chloro-2-fluoroethene
(E)-1-Chloro-2-fluoroethylene
1-Chloro-2-fluoroethylene
CAS Number
460-16-2
2268-31-7
2268-32-8
MDL Number
MFCD00040333
PubChem SID
160970474
PubChem CID
5367499

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5367499 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2798612  LogD (pH = 7.4) 1.2798612 
Log P 1.2798612  Molar Refractivity 14.9906 cm3
Polarizability 5.8863797 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
10°C expand Show data source
15-15.5°C expand Show data source
Storage Warning
Extremely Flammable expand Show data source
Flammable expand Show data source
GAS, FLAMMABLE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC49016 external link
Inhibited with d-limonene, Cylinder - 1/4" NPT connection
Apollo Scientific Ltd - PC1866 external link
Inhibited with d-limonene, Cylinder - 1/4" NPT connection
Apollo Scientific Ltd - PC49015 external link
Inhibited with d-limonene, Cylinder - 1/4" NPT connection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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