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Boronic acid,B-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-

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Name

Boronic acid,B-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-

EINECS N/A
CAS No. 279261-89-1 Density 1.29 g/cm3
PSA 58.92000 LogP -0.47230
Solubility N/A Melting Point 150 °C
Formula C9H11BO4 Boiling Point 371 °C at 760 mmHg
Molecular Weight 193.99 Flash Point 178.2 °C
Transport Information N/A Appearance White to light yellow crystal powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 279261-89-1 (3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- (9CI);(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)boronic acid;(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)boronic acid;

 

Boronic acid,B-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- Specification

The CAS register number of Boronic acid,B-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- is 279261-89-1. It also can be called as (3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)boronic acid and the IUPAC name about this chemical is 3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid. The molecular formula about this chemical is C9H11BO4 and the molecular weight is 193.99.

Physical properties about Boronic acid,B-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)- are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 1.62; (4)ACD/BCF (pH 5.5): 10.52; (5)ACD/BCF (pH 7.4): 9.78; (6)ACD/KOC (pH 5.5): 187.47; (7)ACD/KOC (pH 7.4): 174.37; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 36.92 Å2; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 48.61 cm3; (14)Molar Volume: 149.4 cm3; (15)Polarizability: 19.27x10-24cm3; (16)Surface Tension: 51 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 178.2 °C; (19)Enthalpy of Vaporization: 65.19 kJ/mol; (20)Boiling Point: 371 °C at 760 mmHg; (21)Vapour Pressure: 3.69E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, please wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c2c(OCCC1)cc(B(O)O)cc2
(2)InChI: InChI=1/C9H11BO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6,11-12H,1,4-5H2
(3)InChIKey: CSNCBPVLUIFJOS-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H11BO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6,11-12H,1,4-5H2
(5)Std. InChIKey: CSNCBPVLUIFJOS-UHFFFAOYSA-N

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