CAS 849061-99-0 2-(2-Cyclopropylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (HCID 53395462)

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Basic information

CAS: 849061-99-0
Standard SMILES: CC1(C)OB(C=CC2CC2)OC1(C)C
InChIKey: FCWYPDPDAZGFRJ-UHFFFAOYSA-N
Molecular formula: C11H19BO2
Average molar mass: 194.08 g/mol
Monoisotopic mass: 194.14781025

Names & identifiers

Preferred name: 2-(2-Cyclopropylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(2-cyclopropylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
English name: trans-2-Cyclopropylvinylboronic acid pinacol ester, 96%
Molecular formula: C11H19BO2
Molecular weight: 194.08

Names & synonyms

2-(2-cyclopropylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1092449-35-82-(2-CYCLOPROPYLVINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANESCHEMBL447592DTXSID90694154FCWYPDPDAZGFRJ-UHFFFAOYSA-NAB32244DB-1114562-(2-cyclopropyl-vinyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane1,3,2-Dioxaborolane, 2-(2-cyclopropylethenyl)-4,4,5,5-tetramethyl-2-(2-Cyclopropylethen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(E)-2-(2-cyclopropylvinyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane

Show more names

trans-2-Cyclopropylvinylboronic acid pinacol ester,96%trans-2-Cyclopropylvinylboronic acid pinacol ester, 96%(E)-2-Cyclopropylethylene-1-boronic acid, pinacol estertrans-2-Cyclopropylvinylboronic acid pinacol ester, 96%(trans)-2-Cyclopropylvinylboronic acid pinacol ester 96%(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester 97%(trans)-2-Cyclopropylvinylboronic acid pinacol ester2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 238

Physicochemical properties

Boiling point: 90 · 90-95 °C/3-4 mmHg(lit.)
Density: 0.937 g/mL · 0.937 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.466(lit.)
Flash point: 93 °C · 93 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Colorless to light yellow Liquid
InChI: 1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)8-7-9-5-6-9/h7-9H,5-6H2,1-4H3/b8-7+
InChIKey: FCWYPDPDAZGFRJ-BQYQJAHWSA-N
SMILES: CC1(C)OB(OC1(C)C)\C=C\C2CC2
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 2931900090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 10 - Combustible liquids
Hazard statements: H319-H315-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501