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436-59-9 molecular structure
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fluorobis(2,4,6-trimethylphenyl)borane

ChemBase ID: 151223
Molecular Formular: C18H22BF
Molecular Mass: 268.1766832
Monoisotopic Mass: 268.17985932
SMILES and InChIs

SMILES:
B(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)F
Canonical SMILES:
FB(c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C
InChI:
InChI=1S/C18H22BF/c1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChIKey:
WZWGERGANZMXOM-UHFFFAOYSA-N

Cite this record

CBID:151223 http://www.chembase.cn/molecule-151223.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
fluorobis(2,4,6-trimethylphenyl)borane
IUPAC Traditional name
fluorobis(2,4,6-trimethylphenyl)borane
Synonyms
Dimesitylboron fluoride
二(三甲苯基)氟化硼
CAS Number
436-59-9
MDL Number
MFCD00012203
PubChem SID
24858636
162245380
PubChem CID
3466040

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
307890 external link Add to cart Please log in.
Data Source Data ID
PubChem 3466040 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.1001  LogD (pH = 7.4) 7.1001 
Log P 7.1001  Molar Refractivity 82.6971 cm3
Polarizability 32.194412 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
69-72 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 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
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
90% expand Show data source
Linear Formula
[2,4,6-(CH3)3C6H2]2BF expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 307890 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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