chlorodicyclohexylborane

• ChemBase ID: 136834
• Molecular Formular: C12H22BCl
• Molecular Mass: 212.56708
• Monoisotopic Mass: 212.15030878
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 36140-19-9
• MDL Number: MFCD00191906
• Beilstein Number: 3233942
• PubChem SID: 24865357; 162231102; 24865728
• PubChem CID: 4413142

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2945
• LogD (pH = 7.4): 5.2945
• Log P: 5.2945
• Molar Refractivity: 58.9977 cm^3
• Polarizability: 25.186771 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 100-101 °C/1 mmHg(lit.); 68-69 °C
• Flash Point: 10.4 °F; -12 °C
• Density: 0.752 g/mL at 25 °C; 0.97 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 2845; 2924
• German water hazard class: 3
• Hazard Class: 3; 4.2
• Packing Group: 1; 2
• Risk Statements: 11-17-34-48/20-51/53-62-65-67; 17-34
• Safety Statements: 16-23-26-36/37/39-45; 16-26-36/37/39-45-61-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H304-H314-H336-H361f-H373-H411; H225-H250-H314
• GHS Precautionary statements: P210-P222-P231-P261-P273-P422; P210-P222-P231-P280-P305 + P351 + P338-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1; UN 2924 3/PG 2

Product Information

• Purity: 98%
• Concentration: 1 M in hexanes
• Linear Formula: (C6H11)2BCl

DETAILS

Sigma Aldrich - 411124

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

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