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| CAS No.: | 164014-95-3 |
|---|---|
| Name: | 1,4-Benzodioxane-6-boronic acid |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C8H9BO4 |
| Molecular Weight: | 179.968 |
| Synonyms: | Boronicacid, (2,3-dihydro-1,4-benzodioxin-6-yl)- (9CI);(1,4-Benzodioxan-6-yl)boronicacid;(2,3-Dihydro-1,4-benzodioxin-6-yl)boronic acid;3,4-(Ethylenedioxy)phenylboronic acid; |
| EINECS: | -0 |
| Density: | 1.35 g/cm3 |
| Melting Point: | 187 °C |
| Boiling Point: | 361 °C at 760 mmHg |
| Flash Point: | 172.2 °C |
| Appearance: | White to light yellow crystal powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 58.92000 |
| LogP: | -0.86240 |
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Specification
The 1,4-Benzodioxane-6-boronic acid, with the CAS registry number 164014-95-3, is also known as Boronic acid, B-(2,3-dihydro-1,4-benzodioxin-6-yl)-. It belongs to the product categories of Boronic acids; Alkoxy; Aryl; Organoborons. This chemical's molecular formula is C8H9BO4 and molecular weight is 179.96566. Its IUPAC name is called 2,3-dihydro-1,4-benzodioxin-6-ylboronic acid. The product should be sealed and stored in cool and dry place. It is white to light yellow crystal powder.
Physical properties of 1,4-Benzodioxane-6-boronic acid: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 1.25; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 5.29; (5)ACD/BCF (pH 7.4): 4.92; (6)ACD/KOC (pH 5.5): 114.6; (7)ACD/KOC (pH 7.4): 106.59; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.575; (12)Molar Refractivity: 43.97 cm3; (13)Molar Volume: 133 cm3; (14)Surface Tension: 53.2 dyne/cm; (15)Density: 1.35 g/cm3; (16)Flash Point: 172.2 °C; (17)Enthalpy of Vaporization: 64.03 kJ/mol; (18)Boiling Point: 361 °C at 760 mmHg; (19)Vapour Pressure: 7.64E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC2=C(C=C1)OCCO2)(O)O
(2)InChI: InChI=1S/C8H9BO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5,10-11H,3-4H2
(3)InChIKey: SQDUGGGBJXULJR-UHFFFAOYSA-N