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353-43-5 molecular structure
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(methylsulfanyl)methane; trifluoroborane

ChemBase ID: 303686
Molecular Formular: C2H6BF3S
Molecular Mass: 129.9402496
Monoisotopic Mass: 130.02353625
SMILES and InChIs

SMILES:
B(F)(F)F.CSC
Canonical SMILES:
FB(F)F.CSC
InChI:
InChI=1S/C2H6S.BF3/c1-3-2;2-1(3)4/h1-2H3;
InChIKey:
BRWZPVRDOUWXKE-UHFFFAOYSA-N

Cite this record

CBID:303686 http://www.chembase.cn/molecule-303686.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(methylsulfanyl)methane; trifluoroborane
IUPAC Traditional name
boron trifluoride; dimethyl sulfide
Synonyms
Boron trifluoride-dimethyl sulfide complex, purified
三氟硼烷二甲基硫醚络合物,纯化, 氩气下可重封的ChemSeal™瓶包装
CAS Number
353-43-5
MDL Number
MFCD00013193

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 42970 external link Add to cart
Data Source Data ID Price
Alfa Aesar
42970 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5525  LogD (pH = 7.4) 0.5525 
Log P 0.5525  Molar Refractivity 4.5039 cm3
Polarizability 2.6677341 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
Liquid expand Show data source
Density
1.235 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
UN2920 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
I expand Show data source
Risk Statements
11-34-37 expand Show data source
Safety Statements
7-20-26-33-36/37/39-43-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H224-H314-H318-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Packaging
packaged under Argon in resealable ChemSeal? bottles expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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