(dichloroboranyl)bis(propan-2-yl)amine

• ChemBase ID: 136709
• Molecular Formular: C6H14BCl2N
• Molecular Mass: 181.89906
• Monoisotopic Mass: 181.05963521
• SMILES: B(N(C(C)C)C(C)C)(Cl)Cl
• Canonical SMILES: ClB(N(C(C)C)C(C)C)Cl
• InChI: InChI=1S/C6H14BCl2N/c1-5(2)10(6(3)4)7(8)9/h5-6H,1-4H3
• InChIKey: SQJYZIVNKOIKKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dichloroboranyl)bis(propan-2-yl)amine
• IUPAC Traditional name: (dichloroboranyl)diisopropylamine
• Synonyms: Dichloro(diisopropylamino)borane; 二氯(二异丙基氨基)硼烷

Database IDs

• CAS Number: 44873-49-6
• MDL Number: MFCD03427001
• PubChem SID: 24871311; 162230979
• PubChem CID: 4139105

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6183732
• LogD (pH = 7.4): 2.6183996
• Log P: 2.6184
• Molar Refractivity: 44.5008 cm^3
• Polarizability: 18.957054 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 61 °C/13 mmHg(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3394
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 14/15-17-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H261-H314
• GHS Precautionary statements: P222-P231 + P232-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3394 4.2/PG 1
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: [(CH3)2CH]2NBCl2

DETAILS

Sigma Aldrich - 476897

Packaging
5 g in glass bottle
Application
Reactant for:
• Cyclizative alkenylboration of carbon-carbon double bonds1
• Cyclizative carboboration of C-C triple bonds2
• Preparation of cationic terminal borylene complexes3