1,3-Benzodioxole-5-carboxylicacid, 7-bromo- supplier

Name
7-bromobenzo[d][1,3]dioxole-5-carboxylic acid
EINECS
CAS No. 66799-93-7
Article Data2
CAS DataBase
Density 1.894 g/cm³
Solubility
Melting Point
Formula C₈H₅BrO₄
Boiling Point 373.6 °C at 760 mmHg
Molecular Weight 245.029
Flash Point 179.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromopiperonylicacid;
PSA 55.76000
LogP 1.87600

1,3-Benzodioxole-5-carboxylicacid, 7-bromo- Specification

The 1,3-Benzodioxole-5-carboxylicacid, 7-bromo-, with the CAS registry number 66799-93-7, is also known as 7-Bromo-2H-benzo[d]1,3-dioxolane-5-carboxylic acid. This chemical's molecular formula is C₈H₅BrO₄ and molecular weight is 245.0269. Its systematic name is called 7-bromo-1,3-benzodioxole-5-carboxylic acid.

Physical properties of 1,3-Benzodioxole-5-carboxylicacid, 7-bromo-: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 1.25; (3)ACD/LogD (pH 7.4): -0.18; (4)ACD/BCF (pH 5.5): 2.22; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 22.51; (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: 1.647; (12)Molar Refractivity: 47.03 cm³; (13)Molar Volume: 129.3 cm³; (14)Surface Tension: 70.8 dyne/cm; (15)Density: 1.894 g/cm³; (16)Flash Point: 179.7 °C; (17)Enthalpy of Vaporization: 65.5 kJ/mol; (18)Boiling Point: 373.6 °C at 760 mmHg; (19)Vapour Pressure: 3.04E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc2OCOc2c(Br)c1
(2)InChI: InChI=1/C8H5BrO4/c9-5-1-4(8(10)11)2-6-7(5)13-3-12-6/h1-2H,3H2,(H,10,11)
(3)InChIKey: HLQBEIBAXJNCPT-UHFFFAOYAC

Product Name

7-bromobenzo[d][1,3]dioxole-5-carboxylic acid

1,3-Benzodioxole-5-carboxylicacid, 7-bromo- Specification

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