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353-55-9 molecular structure
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dibromo(chloro)fluoromethane

ChemBase ID: 138063
Molecular Formular: CBr2ClF
Molecular Mass: 226.2701032
Monoisotopic Mass: 223.8039299
SMILES and InChIs

SMILES:
C(F)(Cl)(Br)Br
Canonical SMILES:
FC(Br)(Br)Cl
InChI:
InChI=1S/CBr2ClF/c2-1(3,4)5
InChIKey:
HEDKQVNHJZBFQR-UHFFFAOYSA-N

Cite this record

CBID:138063 http://www.chembase.cn/molecule-138063.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibromo(chloro)fluoromethane
IUPAC Traditional name
dibromochlorofluoromethane
Synonyms
Chlorodibromofluoromethane
氯二溴氟甲烷
CAS Number
353-55-9
MDL Number
MFCD00010606
PubChem SID
162232322
PubChem CID
67708

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
307211 external link Add to cart Please log in.
Data Source Data ID
PubChem 67708 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0091186  LogD (pH = 7.4) 3.0091186 
Log P 3.0091186  Molar Refractivity 2.3038 cm3
Polarizability 10.914007 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
79-80 °C(lit.) expand Show data source
Density
2.317 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4772(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
27-36/37/39-45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
90% expand Show data source
Grade
technical grade expand Show data source
Linear Formula
ClCBr2F expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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