Home > Compound List > Compound details
55671-55-1 molecular structure
click picture or here to close

(methylsulfanyl)methane; dibromoborane

ChemBase ID: 149114
Molecular Formular: C2H7BBr2S
Molecular Mass: 233.76098
Monoisotopic Mass: 231.87282562
SMILES and InChIs

SMILES:
B(Br)Br.CSC
Canonical SMILES:
CSC.BrBBr
InChI:
InChI=1S/C2H6S.BBr2H/c1-3-2;2-1-3/h1-2H3;1H
InChIKey:
PGSRDLGPKTVELT-UHFFFAOYSA-N

Cite this record

CBID:149114 http://www.chembase.cn/molecule-149114.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(methylsulfanyl)methane; dibromoborane
IUPAC Traditional name
dibromoborane; dimethyl sulfide
Synonyms
Dibromoborane dimethyl sulfide complex
Dibromo(dimethyl sulfide)(hydro)boron
Dibromo(dimethyl sulfide)borane
Dibromoborane compound with dimethylsulfane
Dibromoborane dimethyl sulfide
Boron dibromide methyl sulfide complex
Dibromo(dimethyl sulfide)(hydro)boron solution
Dibromo(dimethyl sulfide)borane solution
Dibromoborane compound with dimethylsulfane solution
Dibromoborane dimethyl sulfide solution
Dibromoborane dimethyl sulfide complex solution
二溴硼烷甲硫醚络合物
二溴甲基硫醚化硼络合物
二溴硼烷二甲基硫醚络合物 溶液
CAS Number
55671-55-1
MDL Number
MFCD00011601
Beilstein Number
4449985
PubChem SID
162243282
24855287
24855855
24860801
PubChem CID
11020808

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11020808 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9442  LogD (pH = 7.4) 1.9442 
Log P 1.9442  Molar Refractivity 18.2704 cm3
Polarizability 8.760065 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
30-35 °C(lit.) expand Show data source
Flash Point
26 °C expand Show data source
27 °C expand Show data source
78.8 °F expand Show data source
80.6 °F expand Show data source
Density
1.415 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2920 expand Show data source
3396 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
Hazard Class
4.3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
10-14/15-34 expand Show data source
10-14/15-34-40 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
26-36/37/39-43-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H261-H314-H351 expand Show data source
H228-H261-H314 expand Show data source
GHS Precautionary statements
P210-P231 + P232-P280-P305 + P351 + P338-P310-P422 expand Show data source
P231 + P232-P280-P305 + P351 + P338-P310-P422 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2920 8/PG 2 expand Show data source
UN 3396 4.3/PG 2 expand Show data source
Supplemental Hazard Statements
Reacts violently with water. expand Show data source
Concentration
~1 M in methylene chloride expand Show data source
1.0 M in methylene chloride expand Show data source
Grade
technical expand Show data source
Linear Formula
(CH3)2S · BHBr2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 262056 external link
Packaging
100, 800 mL in Sure/Seal™
Application
Reactant for:
• Reductive elimination C-C bond forming reactions1
• Lithiation-borylation reaction with Hoppe′s lithiated carbamates2
• Preparation of boron analogues of uracil3
• Boronation reactions for formation of cyclic boronium salts4
• Hydroboration reactions5
• Ring opening of terminal epoxides6
Sigma Aldrich - 255106 external link
Packaging
100 g in Sure/Seal™
Application
Reactant for:
• Reductive elimination C-C bond forming reactions1
• Lithiation-borylation reaction with Hoppe′s lithiated carbamates2
• Preparation of boron analogues of uracil3
• Boronation reactions for formation of cyclic boronium salts4
• Hydroboration reactions5
• Ring opening of terminal epoxides6
Sigma Aldrich - 34035 external link
Application
Reactant for:
• Reductive elimination C-C bond forming reactions1
• Lithiation-borylation reaction with Hoppe′s lithiated carbamates2
• Preparation of boron analogues of uracil3
• Boronation reactions for formation of cyclic boronium salts4
• Hydroboration reactions5
• Ring opening of terminal epoxides6

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle