CAS No.279261-89-1,3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	279261-89-1
Name:	3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YLBORONIC ACID

Formula:	C₉H₁₁BO₄
Molecular Weight:	193.99
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;
Density:	1.29 g/cm³
Melting Point:	150 °C
Boiling Point:	371 °C at 760 mmHg
Flash Point:	178.2 °C
Appearance:	White to light yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	58.92000
LogP:	-0.47230

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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