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353-54-8 molecular structure
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tribromo(fluoro)methane

ChemBase ID: 10015
Molecular Formular: CBr3F
Molecular Mass: 270.7211032
Monoisotopic Mass: 267.75341422
SMILES and InChIs

SMILES:
FC(Br)(Br)Br
Canonical SMILES:
FC(Br)(Br)Br
InChI:
InChI=1S/CBr3F/c2-1(3,4)5
InChIKey:
IHZAEIHJPNTART-UHFFFAOYSA-N

Cite this record

CBID:10015 http://www.chembase.cn/molecule-10015.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tribromo(fluoro)methane
IUPAC Traditional name
tribromofluoromethane
Synonyms
Tribromofluoromethane
Fluorotribromomethane
Halon 1103
Tribromo-fluoro-methane
Fluorotribromomethane
Halon 1103, FC-11B3, R 11B3
Tribromofluoromethane
氟三溴甲烷
三溴氟甲烷
一氟三溴甲烷
CAS Number
353-54-8
EC Number
206-535-8
MDL Number
MFCD00000366
Beilstein Number
1732796
PubChem SID
24854781
160973322
PubChem CID
67707
Chemspider ID
61026
Wikipedia Title
Tribromofluoromethane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1591713  LogD (pH = 7.4) 3.1591713 
Log P 3.1591713  Molar Refractivity 2.3038 cm3
Polarizability 12.205731 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)
Apperance
Colorless liquid expand Show data source
Melting Point
-73 °C (200 K) expand Show data source
-73.6 °C(lit.) expand Show data source
-74.6°C expand Show data source
-74°C expand Show data source
Boiling Point
106°C expand Show data source
106-107 °C(lit.) expand Show data source
106-107°C expand Show data source
108 °C (381 K) expand Show data source
Flash Point
None expand Show data source
Density
2.765 expand Show data source
2.765 g/mL at 25 °C(lit.) expand Show data source
2.7650 g/cm3 at 25 °C1.8211 g/cm3 at 0 °C expand Show data source
Refractive Index
1.5240 expand Show data source
1.5255 expand Show data source
n20/D 1.525 expand Show data source
n20/D 1.525(lit.) expand Show data source
Storage Warning
IRRITANT, OZONE DEPLETER expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
R36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-36 expand Show data source
26-37 expand Show data source
S26, S37/39 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
Main Hazard
Irritant (Xi) expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥99.0% (GC) expand Show data source
99% expand Show data source
99%, stab. with copper expand Show data source
Grade
puriss. expand Show data source
Contains
copper as stabilizer expand Show data source
Linear Formula
CFBr3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 246107 external link
Packaging
10, 50 g in ampule

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • For generation and carbonyl addition of the thermally labile species dibromofluoromethyllithium with n-BuLi at -130o, see: Synlett, 987 (1995).
  • • Undergoes Pd-catalyzed addition to olefins to give 1,1,3-tribromo-1-fluoroalkanes: Tetrahedron Lett., 47, 9245 (2006).
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PATENTS

PATENTS

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INTERNET

INTERNET

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