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960-71-4 molecular structure
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triphenylborane

ChemBase ID: 130026
Molecular Formular: C18H15B
Molecular Mass: 242.1227
Monoisotopic Mass: 242.12668088
SMILES and InChIs

SMILES:
c1c(B(c2ccccc2)c2ccccc2)cccc1
Canonical SMILES:
c1ccc(cc1)B(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey:
MXSVLWZRHLXFKH-UHFFFAOYSA-N

Cite this record

CBID:130026 http://www.chembase.cn/molecule-130026.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triphenylborane
IUPAC Traditional name
triphenylborane
Synonyms
Triphenylboron
Triphenylborane
Triphenylborane solution
Triphenylborane
U - Allyl alcohol
三苯基硼
三苯基硼烷
三苯基硼烷 溶液
2-丙烯-1-醇
烯丙醇
CAS Number
960-71-4
107-18-6
EC Number
213-504-2
MDL Number
MFCD00003007
Beilstein Number
1961313
PubChem SID
162224311
24867854
24889651
24900512
PubChem CID
70400
Chemspider ID
63579
Wikipedia Title
Triphenylborane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.9066  LogD (pH = 7.4) 5.9066 
Log P 5.9066  Molar Refractivity 76.4229 cm3
Polarizability 31.729559 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)
Solubility
Insoluble in water expand Show data source
Apperance
Crystalline expand Show data source
powder expand Show data source
solid expand Show data source
White crystals expand Show data source
Melting Point
~145 °C expand Show data source
142 °C expand Show data source
145 °C(lit.) expand Show data source
147°C expand Show data source
Boiling Point
203 °C (15 mmHg) expand Show data source
203 °C/15 mmHg(lit.) expand Show data source
208°C/14mm expand Show data source
65-67 °C expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.898 g/mL at 25 °C expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
ED2367500 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1325 expand Show data source
1993 expand Show data source
UN1325 expand Show data source
MSDS Link
Download expand Show data source
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
3 expand Show data source
4.1 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
11 expand Show data source
11-19-36/37 expand Show data source
11-41 expand Show data source
R11 expand Show data source
Safety Statements
16-22-24/25 expand Show data source
16-26 expand Show data source
26-39 expand Show data source
S16 S22 S24/25 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 Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H319-H335 expand Show data source
H228 expand Show data source
H318-H228 expand Show data source
GHS Precautionary statements
P210 expand Show data source
P210-P241-P280-P240-P305+P351+P338-P310 expand Show data source
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, 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 1325 4.1/PG 2 expand Show data source
UN 1993 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Purity
96% expand Show data source
Concentration
0.25 M in THF expand Show data source
Grade
purum expand Show data source
Impurities
<2% H2O expand Show data source
Linear Formula
(C6H5)3B expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 442445 external link
Packaging
25, 100 mL in Sure/Seal™
Sigma Aldrich - T82201 external link
Packaging
2.5, 10 g in glass bottle
Sigma Aldrich - 92985 external link
Other Notes
Preparation of triphenylborohydrides and use in selective reduction reactions1
Sigma Aldrich - 442445 external link
Packaging
25, 100 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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