Benzoic acid,3-bromo-5-hydroxy- supplier

Name
3-BROMO-5-HYDROXYBENZOIC ACID
EINECS
CAS No. 140472-69-1
Article Data8
CAS DataBase
Density 1.861 g/cm³
Solubility
Melting Point 237-241 °C
Formula C₇H₅BrO₃
Boiling Point 388.1 °C at 760 mmHg
Molecular Weight 217.019
Flash Point 188.5 °C
Transport Information
Appearance
Safety 61
Risk Codes 22-50
Molecular Structure
Hazard Symbols Xn,N
Synonyms 3-Bromo-5-hydroxybenzoicacid;
PSA 57.53000
LogP 1.85290

Benzoic acid,3-bromo-5-hydroxy- Specification

The Benzoic acid,3-bromo-5-hydroxy-, with the CAS registry number 140472-69-1, has the systematic name 3-Bromo-5-hydroxybenzoic acid. This chemical's molecular formula is C₇H₅BrO₃ and molecular weight is 217.02. What's more, it belongs to the product categories of C₇; Carbonyl Compounds; Carboxylic Acids. The product is harmful if swallowed and it is very toxic to aquatic organisms. Besides, you should avoid releasing it to the environment and refer to special instructions/safety data sheet when using it. In addition, it should be stored at room temperature.

Physical properties of Benzoic acid,3-bromo-5-hydroxy- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.52; (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: 57.53 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: 188.5 °C; (19)Enthalpy of Vaporization: 67.22 kJ/mol; (20)Boiling Point: 388.1 °C at 760 mmHg; (21)Vapour Pressure: 1.02E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(cc(Br)c1)C(O)=O
(2)InChI: InChI=1S/C7H5BrO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
(3)InChIKey: WGIBEMRBLBGETQ-UHFFFAOYSA-N

Product Name

3-BROMO-5-HYDROXYBENZOIC ACID

Benzoic acid,3-bromo-5-hydroxy- Specification

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