(1S,2S,6R,8S)-4-(4-Bromobutyl)-2,9,9-Trimethyl-3,5-Dioxa-4-Boratricyclo[6.1.1.0^2,6]Decane
[CAS# 165881-36-7]

Identification

• Name: (1S,2S,6R,8S)-4-(4-Bromobutyl)-2,9,9-Trimethyl-3,5-Dioxa-4-Boratricyclo[6.1.1.0^2,6]Decane
• Synonyms: (1S,2S,3R,5S)-(+)-2,3-Pinanediol 4-bromobutylboronate; (1S,2S,3R,5S)-(+)-2,3-PINANEDIOL-4-BROMOBUTYLBORONATE ESTER; 4-Bromobutaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester
• Molecular Formula: C₁₄H₂₄BBrO₂
• Molecular Weight: 315.05
• CAS Registry Number: 165881-36-7
• SMILES: B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)CCCCBr
• InChI: 1S/C14H24BBrO2/c1-13(2)10-8-11(13)14(3)12(9-10)17-15(18-14)6-4-5-7-16/h10-12H,4-9H2,1-3H3/t10-,11-,12+,14-/m0/s1
• InChIKey: DQGAIMVYOVPBSD-FMSGJZPZSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 334.7±25.0°C at 760 mmHg (Cal.)
• Flash point: 156.2±23.2°C (Cal.)
• Refractive index: 1.506 (Cal.)

Safety Data

• Safety Description: IRRITANT