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55382-85-9 molecular structure
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dicyclohexyl(iodo)borane

ChemBase ID: 146370
Molecular Formular: C12H22BI
Molecular Mass: 304.01855
Monoisotopic Mass: 304.0859291
SMILES and InChIs

SMILES:
B(C1CCCCC1)(C1CCCCC1)I
Canonical SMILES:
IB(C1CCCCC1)C1CCCCC1
InChI:
InChI=1S/C12H22BI/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey:
RWFGGTOYIFQXAO-UHFFFAOYSA-N

Cite this record

CBID:146370 http://www.chembase.cn/molecule-146370.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dicyclohexyl(iodo)borane
IUPAC Traditional name
dicyclohexyl(iodo)borane
Synonyms
Dicyclohexyliodoborane
Dicyclohexylboryl iodide
Dicyclohexyliodoborane solution
二环己基碘硼烷
二环己基碘硼烷 溶液
CAS Number
55382-85-9
MDL Number
MFCD00192014
PubChem SID
24866487
24866084
162240568
PubChem CID
4532507

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4532507 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5936  LogD (pH = 7.4) 5.5936 
Log P 5.5936  Molar Refractivity 66.2022 cm3
Polarizability 28.12179 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)
Boiling Point
198-200 °C/1.25 mmHg(lit.) expand Show data source
68-69 °C expand Show data source
Flash Point
-23 °C expand Show data source
30 °C expand Show data source
86 °F expand Show data source
-9 °F expand Show data source
Density
0.754 g/mL at 25 °C expand Show data source
1.325 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2920 expand Show data source
2924 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
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
10 expand Show data source
11-14-20/21/22-34-40 expand Show data source
Safety Statements
16-26-27-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
RID/ADR
UN 2920 8/PG 2 expand Show data source
UN 2924 3/PG 2 expand Show data source
Purity
97% expand Show data source
Concentration
0.5 M in hexanes expand Show data source
Linear Formula
(C6H11)2BI expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 416916 external link
Packaging
25 mL in Sure/Seal™
Application
Reactant for:
• Preparation of vinyloxyboranes1
Sigma Aldrich - 423319 external link
Packaging
50 mL in Sure/Seal™
Application
Reactant for:
• Preparation of vinyloxyboranes1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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