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CAS No.: | 14348-38-0 |
---|---|
Name: | 4-BROMO-3-HYDROXYBENZOIC ACID |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C7H5BrO3 |
Molecular Weight: | 217.019 |
Synonyms: | 4-Bromo-3-hydroxybenzoicacid; |
Density: | 1.862 g/cm3 |
Melting Point: | 225-227 °C |
Boiling Point: | 338.644 °C at 760 mmHg |
Flash Point: | 158.606 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold; |
PSA: | 57.53000 |
LogP: | 1.85290 |
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This chemical is called Benzoic acid, 4-bromo-3-hydroxy-, and its systematic name is 4-bromo-3-hydroxybenzoic acid. With the molecular formula of C7H5BrO3, its molecular weight is 217.02. The CAS registry number of this chemical is 14348-38-0. Additionally, its product categories are Blocks; Bromides; Carboxes.
Other characteristics of the Benzoic acid, 4-bromo-3-hydroxy- can be summarised as followings: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92 ; (4)ACD/BCF (pH 5.5): 1.11; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.88; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.654; (13)Molar Refractivity: 42.75 cm3; (14)Molar Volume: 116.5 cm3; (15)Polarizability: 16.94×10-24cm3; (16)Surface Tension: 68.1 dyne/cm; (17)Density: 1.861 g/cm3; (18)Flash Point: 158.6 °C; (19)Enthalpy of Vaporization: 61.43 kJ/mol; (20)Boiling Point: 338.6 °C at 760 mmHg; (21)Vapour Pressure: 3.77E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc(C(=O)O)cc1O
2.InChI: InChI=1/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
3.InChIKey: PAJSESFUWIYFNF-UHFFFAOYAJ