Basic information
- Name:
1,4-Benzodioxane-2-carboxylic acid
- CAS No.:
34385-93-8
- Molecular Structure:
- Formula:
- C9H8O4
- Molecular Weight:
- 180.16
- Synonyms:
- 2,3-dihydro-1,4-benzodioxine-2-carboxylic acid;
- Density:
- 1.379 g/cm3
- Melting Point:
- 126-130 °C(lit.)
- Boiling Point:
- 347.2 °C at 760 mmHg
- Flash Point:
- 145.4 °C
- Hazard Symbols:
Xi
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Specification
The 1,4-Benzodioxane-2-carboxylic acid, with the CAS registry number 34385-93-8, is also known as 1,4-Benzodioxan-2-carboxylic acid 97%. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids. This chemical's molecular formula is C9H8O4 and molecular weight is 180.1574. Its systematic name is called 2,3-dihydro-1,4-benzodioxine-2-carboxylic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 1,4-Benzodioxane-2-carboxylic acid: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): -1.51; (3)ACD/LogD (pH 7.4): -2.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 43.13 cm3; (13)Molar Volume: 130.5 cm3; (14)Surface Tension: 53.5 dyne/cm; (15)Density: 1.379 g/cm3; (16)Flash Point: 145.4 °C; (17)Enthalpy of Vaporization: 62.41 kJ/mol; (18)Boiling Point: 347.2 °C at 760 mmHg; (19)Vapour Pressure: 2.07E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1Oc2c(OC1)cccc2
(2)InChI: InChI=1/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)
(3)InChIKey: HMBHAQMOBKLWRX-UHFFFAOYAE
