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359-04-6 molecular structure
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1-chloro-1,2-difluoroethene

ChemBase ID: 97031
Molecular Formular: C2HClF2
Molecular Mass: 98.4791464
Monoisotopic Mass: 97.97348415
SMILES and InChIs

SMILES:
Cl/C(=C/F)/F
Canonical SMILES:
F/C=C(/Cl)\F
InChI:
InChI=1S/C2HClF2/c3-2(5)1-4/h1H
InChIKey:
CJENPNUXCMYXPT-UHFFFAOYSA-N

Cite this record

CBID:97031 http://www.chembase.cn/molecule-97031.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-1,2-difluoroethene
IUPAC Traditional name
1-chloro-1,2-difluoroethene
Synonyms
1-Chloro-1,2-difluoroethene
1-Chloro-1,2-difluoroethylene 97%
CAS Number
359-04-6
MDL Number
MFCD01726891
PubChem SID
162083659
PubChem CID
5463105

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC3774 external link Add to cart Please log in.
Data Source Data ID
PubChem 5463105 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4294028  LogD (pH = 7.4) 1.4294028 
Log P 1.4294028  Molar Refractivity 25.9536 cm3
Polarizability 5.912078 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
-5°C/760mm expand Show data source
Flash Point
none°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC3774 external link
Inhibited with d-limonene, Cylinder - 1/4" NPTM connection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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