4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline supplier

Name
ISOQUINOLINE-4-BORONIC ACID 2,2-DIMETHYLPROPANEDIOL-1,3 CYCLIC ESTER
EINECS
CAS No. 844891-01-6
Density 1.12 g/cm³
Solubility
Melting Point 123 °C
Formula C₁₄H₁₆BNO₂
Boiling Point 409.2 °C at 760 mmHg
Molecular Weight 241.09
Flash Point 201.3 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline;
PSA 31.35000
LogP 2.00300

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline Specification

The CAS register number of 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline is 844891-01-6. It also can be called as Isoquinoline,4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- and the systematic name about this chemical is 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline. The molecular formula about this chemical is C₁₄H₁₆BNO₂and molecular weight is 241.09.

Physical properties about 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline are: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 31.35Å²; (4)Index of Refraction: 1.566; (5)Molar Refractivity: 70.17 cm³; (6)Molar Volume: 215 cm³; (7)Polarizability: 27.82x10^-24cm³; (8)Surface Tension: 41.5 dyne/cm; (9)Enthalpy of Vaporization: 63.56 kJ/mol; (10)Boiling Point: 409.2 °C at 760 mmHg; (11)Vapour Pressure: 1.57E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OCC(C)(C)C1)c3c2ccccc2cnc3
(2)InChI: InChI=1/C14H16BNO2/c1-14(2)9-17-15(18-10-14)13-8-16-7-11-5-3-4-6-12(11)13/h3-8H,9-10H2,1-2H3
(3)InChIKey: AQEZCUCPPAKCLQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C14H16BNO2/c1-14(2)9-17-15(18-10-14)13-8-16-7-11-5-3-4-6-12(11)13/h3-8H,9-10H2,1-2H3
(5)Std. InChIKey: AQEZCUCPPAKCLQ-UHFFFAOYSA-N

Product Name

ISOQUINOLINE-4-BORONIC ACID 2,2-DIMETHYLPROPANEDIOL-1,3 CYCLIC ESTER

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline Specification

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