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354-53-0 molecular structure
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1-bromo-2-chloro-1,1,2,2-tetrafluoroethane

ChemBase ID: 295607
Molecular Formular: C2BrClF4
Molecular Mass: 215.3720128
Monoisotopic Mass: 213.88080256
SMILES and InChIs

SMILES:
C(C(F)(F)Br)(F)(F)Cl
Canonical SMILES:
FC(C(Cl)(F)F)(Br)F
InChI:
InChI=1S/C2BrClF4/c3-1(5,6)2(4,7)8
InChIKey:
SXIPFAJOOHZHIQ-UHFFFAOYSA-N

Cite this record

CBID:295607 http://www.chembase.cn/molecule-295607.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-2-chloro-1,1,2,2-tetrafluoroethane
IUPAC Traditional name
1-bromo-2-chloro-1,1,2,2-tetrafluoroethane
Synonyms
1-Bromo-2-chlorotetrafluoroethane
1-溴-2-氯四氟乙烷
CAS Number
354-53-0
MDL Number
MFCD00042179
PubChem SID
180681138
PubChem CID
584893

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 584893 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6454635  LogD (pH = 7.4) 2.6454635 
Log P 2.6454635  Molar Refractivity 25.3473 cm3
Polarizability 9.653005 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)
Melting Point
-123°C expand Show data source
Boiling Point
25°C expand Show data source
Flash Point
None expand Show data source
Density
1.82 expand Show data source
Refractive Index
1.3336 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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