Benzoic acid, 3-bromo-5-chloro-2-hydroxy- supplier

Name
3-Bromo-5-chloro salicylic acid
EINECS
CAS No. 4068-58-0
Article Data6
CAS DataBase
Density 1.956 g/cm³
Solubility
Melting Point
Formula C₇H₄BrClO₃
Boiling Point 326.1 °C at 760 mmHg
Molecular Weight 251.464
Flash Point 151 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-bromo-5-chlorosalicylic acid;3-Brom-5-chlor-salicylsaeure;
PSA 57.53000
LogP 2.50630

Benzoic acid, 3-bromo-5-chloro-2-hydroxy- Specification

The Benzoic acid, 3-bromo-5-chloro-2-hydroxy-, with the CAS registry number 4068-58-0, is also known as 3-Bromo-5-chloro-2-hydroxy-benzoic acid. This chemical's molecular formula is C₇H₄BrClO₃ and molecular weight is 251.4619. What's more, its systematic name is called 3-Bromo-5-chloro-2-hydroxybenzoic acid.

Physical properties about Benzoic acid, 3-bromo-5-chloro-2-hydroxy- are: (1)ACD/LogP: 4.40; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.37; (8)ACD/KOC (pH 7.4): 4.17; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 47.64 cm³; (15)Molar Volume: 128.5 cm³; (16)Polarizability: 18.88×10^-24 cm³; (17)Surface Tension: 69.2 dyne/cm; (18)Density: 1.956 g/cm³; (19)Flash Point: 151 °C; (20)Enthalpy of Vaporization: 59.99 kJ/mol; (21)Boiling Point: 326.1 °C at 760 mmHg; (22)Vapour Pressure: 8.98E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(Cl)cc(C(=O)O)c1O
(2) InChI: InChI=1/C7H4BrClO3/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,10H,(H,11,12)
(3) InChIKey: XDHJZXVJIHAQIU-UHFFFAOYAM

Product Name

3-Bromo-5-chloro salicylic acid

Benzoic acid, 3-bromo-5-chloro-2-hydroxy- Specification

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