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124-48-1 molecular structure
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dibromo(chloro)methane

ChemBase ID: 9646
Molecular Formular: CHBr2Cl
Molecular Mass: 208.27964
Monoisotopic Mass: 205.81335171
SMILES and InChIs

SMILES:
ClC(Br)Br
Canonical SMILES:
ClC(Br)Br
InChI:
InChI=1S/CHBr2Cl/c2-1(3)4/h1H
InChIKey:
GATVIKZLVQHOMN-UHFFFAOYSA-N

Cite this record

CBID:9646 http://www.chembase.cn/molecule-9646.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibromo(chloro)methane
IUPAC Systematic name
Dibromo(chloro)methane
IUPAC Traditional name
dibromochloromethane
Synonyms
Dibromomonochloromethane
Dibromochloromethane (stabilized with Ethanol)
Chlorodibromomethane
Chlorodibromomethane
Monochlorodibromomethane
Dibromochloromethane
Dibromochloromethane
氯二溴甲烷
一氯二溴甲烷
二溴氯甲烷
CAS Number
124-48-1
EC Number
204-704-0
MDL Number
MFCD00000820
Beilstein Number
1731046
Merck Index
142135
PubChem SID
24860862
24872072
24863012
24852393
160972953
PubChem CID
31296
CHEMBL
157093
Chemspider ID
29036
KEGG ID
C14692
MeSH Name
chlorodibromomethane
Wikipedia Title
Dibromochloromethane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1260462  LogD (pH = 7.4) 2.1260462 
Log P 2.1260462  Molar Refractivity 26.9843 cm3
Polarizability 10.782555 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
-22 °C(lit.) expand Show data source
-22°C expand Show data source
-22°C expand Show data source
Boiling Point
115-118°C expand Show data source
119 - 120°C (at 99.7 kPa) expand Show data source
119-120 °C/748 mmHg(lit.) expand Show data source
119-120°C/48mm expand Show data source
Density
2.420 expand Show data source
2.451 expand Show data source
2.451 g mL-1 expand Show data source
2.451 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5465 expand Show data source
1.547 expand Show data source
1.5475 expand Show data source
n20/D 1.547 expand Show data source
n20/D 1.547(lit.) expand Show data source
Partition Coefficient
2.206 expand Show data source
Henry Constant
8.6 μmol Pa-1 kg-1 expand Show data source
Storage Warning
IRRITANT expand Show data source
Moisture & Light Sensitive expand Show data source
RTECS
PA3600000 expand Show data source
PA6360000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
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
22 expand Show data source
22-68 expand Show data source
r22 expand Show data source
Safety Statements
23-36/37-60 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS exclamation mark expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
WARNING expand Show data source
Warning expand Show data source
LD50
370 mg kg-1 (oral, rat) expand Show data source
GHS Hazard statements
302 expand Show data source
H302 expand Show data source
H341-H302 expand Show data source
GHS Precautionary statements
P281-P264-P301+P312-P308+P313-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
98% expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Quality
amylene stabilized expand Show data source
Linear Formula
Br2CHCl expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 206326 external link
Packaging
5, 10, 50 g in glass bottle
Application
Affords bromochlorocarbene under phase-transfer conditions.1
Toronto Research Chemicals - D425205 external link
A volatile halogenated methane present in trace amounts in drinking water as a result of the water treatment process. It is useful as chain transfer agents in PVC polymerization.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Stanaback, R.J.: Tech. Pap. Soc. Plast. Engin., 23, 262 (1977)
  • • Nestmann, E.R. et al.: Water Chlorin. Env. Impact Health. Eff., 4, 1151 (1977)
  • • Source of bromochlorocarbene in the presence of base and Dibenzo-18-crown-6, A13133. Other conditions give mixtures of carbenes: Synthesis, 783 (1977); Tetrahedron, 33, 363 (1977).
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PATENTS

PATENTS

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INTERNET

INTERNET

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