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36140-19-9 molecular structure
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chlorodicyclohexylborane

ChemBase ID: 136834
Molecular Formular: C12H22BCl
Molecular Mass: 212.56708
Monoisotopic Mass: 212.15030878
SMILES and InChIs

SMILES:
B(C1CCCCC1)(C1CCCCC1)Cl
Canonical SMILES:
ClB(C1CCCCC1)C1CCCCC1
InChI:
InChI=1S/C12H22BCl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey:
PBBOKJIYEZCTEH-UHFFFAOYSA-N

Cite this record

CBID:136834 http://www.chembase.cn/molecule-136834.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chlorodicyclohexylborane
IUPAC Traditional name
chlorodicyclohexylborane
Synonyms
Chlorodicyclohexylborane solution
Dicyclohexylboryl chloride
Dicyclohexylchloroborane
Dicyclohexylboron chloride
Chlorodicyclohexylborane
氯代二环己基硼烷 溶液
氯化二环己基硼烷
氯代二环己基硼烷
CAS Number
36140-19-9
MDL Number
MFCD00191906
Beilstein Number
3233942
PubChem SID
24865357
162231102
24865728
PubChem CID
4413142

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4413142 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.2945  LogD (pH = 7.4) 5.2945 
Log P 5.2945  Molar Refractivity 58.9977 cm3
Polarizability 25.186771 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
100-101 °C/1 mmHg(lit.) expand Show data source
68-69 °C expand Show data source
Flash Point
10.4 °F expand Show data source
-12 °C expand Show data source
Density
0.752 g/mL at 25 °C expand Show data source
0.97 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
Nature polluting Nature polluting (N) expand Show data source
UN Number
2845 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
4.2 expand Show data source
Packing Group
1 expand Show data source
2 expand Show data source
Risk Statements
11-17-34-48/20-51/53-62-65-67 expand Show data source
17-34 expand Show data source
Safety Statements
16-23-26-36/37/39-45 expand Show data source
16-26-36/37/39-45-61-62 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H250-H304-H314-H336-H361f-H373-H411 expand Show data source
H225-H250-H314 expand Show data source
GHS Precautionary statements
P210-P222-P231-P261-P273-P422 expand Show data source
P210-P222-P231-P280-P305 + P351 + P338-P422 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2845 4.2/PG 1 expand Show data source
UN 2924 3/PG 2 expand Show data source
Purity
98% expand Show data source
Concentration
1 M in hexanes expand Show data source
Linear Formula
(C6H11)2BCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 411124 external link
Packaging
50, 100 mL in Sure/Seal™
Application
Reactant for:
• Aldol addition reactions1
• Mukaiyama aldol addition2
• Microwave assisted ring closing metathesis reactions3
• C-alkylation of aromatic aldimines4
• Reversible ketone-ketone aldol reactions5
• Syn- and anti-stereoselective aldol reaction hexenone with aldehydes6
Sigma Aldrich - 406139 external link
Packaging
25 mL in Sure/Seal™
Application
A convenient reagent for regio- and stereoselective enolboration of ketones and other carbonyl derivatives.1
Reactant for:
• Aldol addition reactions
• Mukaiyama aldol addition
• Microwave assisted ring closing metathesis reactions
• C-alkylation of aromatic aldimines
• Reversible ketone-ketone aldol reactions
• Syn- and anti-stereoselective aldol reaction hexenone with aldehydes

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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