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CAS No.: | 126689-01-8 |
---|---|
Name: | Cyclopropylboronic acid pinacol ester |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H17BO2 |
Molecular Weight: | 168.044 |
Synonyms: | 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; |
Density: | 0.954 g/cm3 |
Boiling Point: | 177.158 °C at 760 mmHg |
Flash Point: | 60.943 °C |
Hazard Symbols: | Xi |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 3272 3/PG 3 |
PSA: | 18.46000 |
LogP: | 2.24260 |
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Molecule structure of Cyclopropylboronic acid pinacol ester (CAS NO.126689-01-8):
IUPAC Name: 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Molecular Weight: 168.04108 [g/mol]
Molecular Formula: C9H17BO2
Storage temp.: Refrigerator
Sensitive: moisture sensitive
Index of Refraction: 1.441
Molar Refractivity: 46.57 cm3
Molar Volume: 176 cm3
Surface Tension: 25.7 dyne/cm
Density: 0.95 g/cm3
Flash Point: 60.9 °C
Enthalpy of Vaporization: 39.65 kJ/mol
Boiling Point: 177.2 °C at 760 mmHg
Vapour Pressure: 1.42 mmHg at 25 °C
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 168.13216
MonoIsotopic Mass: 168.13216
Topological Polar Surface Area: 18.5
Heavy Atom Count: 12
Complexity: 181
Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2CC2
InChI: InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3
InChIKey: XGBMQBPLWXTEPM-UHFFFAOYSA-N
Product Categories of Cyclopropylboronic acid pinacol ester (CAS NO.126689-01-8): Boronic ester; Cyclopropyl; Organoborons; B (Classes of Boron Compounds); Boronic Acids Esters; Cyclopropanes; Simple 3-Membered Ring Compounds; CHIRAL CHEMICALS
Hazard Codes: Xi
Risk Statements: 10
R10:Flammable.
Safety Statements: 16
S16:Keep away from sources of ignition.
RIDADR: UN 3272 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III
Cyclopropylboronic acid pinacol ester (CAS NO.126689-01-8) is also named as 2-Cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane ; (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane ; 2-Cyclopropylboronic acid, pinacol ester .