Boronic acid,B-(6-formyl-1,3-benzodioxol-5-yl)- supplier

Name
2-FORMYL-4,5-METHYLENEDIOXYPHENYLBORONIC ACID
EINECS
CAS No. 94838-88-7
Density 1.49 g/cm³
Solubility
Melting Point 231-233 °C
Formula C₈H₇BO₅
Boiling Point 434.3 °C at 760 mmHg
Molecular Weight 193.952
Flash Point 216.5 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (6-formyl-1,3-benzodioxol-5-yl)- (9CI);
PSA 75.99000
LogP -1.09240

Boronic acid,B-(6-formyl-1,3-benzodioxol-5-yl)- Specification

The Boronic acid,B-(6-formyl-1,3-benzodioxol-5-yl)- is an organic compound with the formula C₈H₇BO₅. The systematic name of this chemical is (6-formyl-1,3-benzodioxol-5-yl)boronic acid. With the CAS registry number 94838-88-7, it is also named as 2-Formyl-4,5-(methylenedioxy)benzeneboronic acid. The product's categories are blocks;BoronicAcids; Aldehyde; Aryl; Organoborons.

Physical properties about Boronic acid,B-(6-formyl-1,3-benzodioxol-5-yl)- are: (1)ACD/LogP: 0.42; (2)ACD/LogD (pH 5.5): 0.42; (3)ACD/LogD (pH 7.4): 0.35; (4)ACD/BCF (pH 5.5): 1.23; (5)ACD/BCF (pH 7.4): 1.04; (6)ACD/KOC (pH 5.5): 40.27; (7)ACD/KOC (pH 7.4): 34.04; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 53.99 Å²; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 44.31 cm³; (14)Molar Volume: 129.8 cm³; (15)Polarizability: 17.56×10^-24cm³; (16)Surface Tension: 63.4 dyne/cm; (17)Density: 1.49 g/cm³; (18)Flash Point: 216.5 °C; (19)Enthalpy of Vaporization: 72.78 kJ/mol; (20)Boiling Point: 434.3 °C at 760 mmHg; (21)Vapour Pressure: 2.59E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(cc2OCOc2c1)B(O)O
(2)InChI: InChI=1/C8H7BO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3,11-12H,4H2
(3)InChIKey: AKEPUIJBVDGLMX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H7BO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3,11-12H,4H2
(5)Std. InChIKey: AKEPUIJBVDGLMX-UHFFFAOYSA-N

Product Name

2-FORMYL-4,5-METHYLENEDIOXYPHENYLBORONIC ACID

Boronic acid,B-(6-formyl-1,3-benzodioxol-5-yl)- Specification

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