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676-88-0 molecular structure
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tetrafluoroboranuide; trimethylsulfanium

ChemBase ID: 136684
Molecular Formular: C3H9BF4S
Molecular Mass: 163.9731728
Monoisotopic Mass: 164.04541457
SMILES and InChIs

SMILES:
[B-](F)(F)(F)F.C[S+](C)C
Canonical SMILES:
F[B-](F)(F)F.C[S+](C)C
InChI:
InChI=1S/C3H9S.BF4/c1-4(2)3;2-1(3,4)5/h1-3H3;/q+1;-1
InChIKey:
RNBNWTAKWJKQNN-UHFFFAOYSA-N

Cite this record

CBID:136684 http://www.chembase.cn/molecule-136684.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrafluoroboranuide; trimethylsulfanium
IUPAC Traditional name
trimethylsulfonium tetrafluoroborate
Synonyms
Trimethylsulfonium tetrafluoroborate
三甲基四氟硼酸硫鎓
CAS Number
676-88-0
EC Number
211-632-3
MDL Number
MFCD00031582
Beilstein Number
3708437
PubChem SID
162230954
PubChem CID
3083643

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3083643 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.13  LogD (pH = 7.4) -1.13 
Log P -1.13  Molar Refractivity 6.0052 cm3
Polarizability 3.1085358 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
205-210 °C expand Show data source
214-218°C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
97% expand Show data source
98+% expand Show data source
Empirical Formula (Hill Notation)
C3H9BF4S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 740489 external link
包装
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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