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54678-23-8 molecular structure
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(methylsulfanyl)methane; bromocopper

ChemBase ID: 147511
Molecular Formular: C2H6BrCuS
Molecular Mass: 205.58404
Monoisotopic Mass: 203.86695569
SMILES and InChIs

SMILES:
CSC.[Cu]Br
Canonical SMILES:
CSC.Br[Cu]
InChI:
InChI=1S/C2H6S.BrH.Cu/c1-3-2;;/h1-2H3;1H;/q;;+1/p-1
InChIKey:
PMHQVHHXPFUNSP-UHFFFAOYSA-M

Cite this record

CBID:147511 http://www.chembase.cn/molecule-147511.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(methylsulfanyl)methane; bromocopper
IUPAC Traditional name
copper(I) bromide; dimethyl sulfide
Synonyms
Cuprous bromide dimethyl sulfide complex
Copper(I) bromide methyl sulfide complex
Cuprous bromide methyl sulfide complex
Copper(I) bromide dimethyl sulfide complex
Copper(I) bromide-dimethyl sulfide complex
Copper(I) bromide methyl sulfide complex
一溴化铜与甲基硫的络合物
溴化亚铜与甲基硫的络合物
溴化亚铜与二甲基硫的络合物
溴化亚铜(I)二甲硫醚复合物
溴化亚铜与甲基硫的络合物
CAS Number
54678-23-8
EC Number
259-292-5
MDL Number
MFCD00043295
Beilstein Number
4386581
PubChem SID
24853810
24882066
162241699
PubChem CID
2724234

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2724234 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2235795  LogD (pH = 7.4) 1.2235795 
Log P 1.2235795  Molar Refractivity 18.8917 cm3
Polarizability 7.4785047 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
Crystalline expand Show data source
Melting Point
124-129°C dec. expand Show data source
132 °C (dec.)(lit.) expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN3335 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning 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
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (RT) expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Linear Formula
CuBr · CH3SCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 230502 external link
Application
Catalyst employed in the addition of Grignard reagents (alkyl, alkenyl, aryl) to fullerenes. This process adds 5 organic groups to [60]fullerene and 3 groups to [70]fullerene.1
Packaging
10, 50 g in glass bottle
Sigma Aldrich - 61166 external link
Other Notes
Crystalline complex for the preparation of organocuprate reagents; review1; their use for the preparation of trisubstituted olefins2; Preparation of vinyl and allyl cuprates3,4,5

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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