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CAS No.: | 24507-29-7 |
---|---|
Name: | 3-BROMO-4-ETHOXYBENZOIC ACID |
Molecular Structure: | |
Formula: | C9H9BrO3 |
Molecular Weight: | 245.073 |
Synonyms: | 3-Bromo-4-ethoxybenzoicacid; |
Density: | 1.544 g/cm3 |
Boiling Point: | 337.2 °C at 760 mmHg |
Flash Point: | 157.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 46.53000 |
LogP: | 2.54600 |
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The cas register number of 3-Bromo-4-ethoxybenzoic acid is 24507-29-7. It also can be called as Benzoic acid,3-bromo-4-ethoxy- and the IUPAC Name about this chemical is 3-bromo-4-ethoxybenzoic acid. It belongs to the following product categories, such as Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts and so on.
Physical properties about 3-Bromo-4-ethoxybenzoic acid are: (1)ACD/LogP: 3.11; (2)ACD/LogD (pH 5.5): 1.7; (3)ACD/LogD (pH 7.4): 0.19; (4)ACD/BCF (pH 5.5): 5.3; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 45.72; (7)ACD/KOC (pH 7.4): 1.41; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 52.18 cm3; (14)Molar Volume: 158.6 cm3; (15)Polarizability: 20.68x10-24cm3; (16)Surface Tension: 47.4 dyne/cm; (17)Enthalpy of Vaporization: 61.26 kJ/mol; (18)Vapour Pressure: 4.17E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1OCC)C(=O)O
(2)InChI: InChI=1/C9H9BrO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5H,2H2,1H3,(H,11,12)
(3)InChIKey: XCKMWULLKHQZIP-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H9BrO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5H,2H2,1H3,(H,11,12)
(5)Std. InChIKey: XCKMWULLKHQZIP-UHFFFAOYSA-N