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Benzoic acid,5-bromo-2,4-dihydroxy-

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Name

Benzoic acid,5-bromo-2,4-dihydroxy-

EINECS 230-881-9
CAS No. 7355-22-8 Density 2.026 g/cm3
PSA 77.76000 LogP 1.55850
Solubility N/A Melting Point 208-210°C
Formula C7H5BrO4 Boiling Point 436.7 °C at 760 mmHg
Molecular Weight 233.018 Flash Point 217.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7355-22-8 (5-BROMO-2,4-DIHYDROXYBENZOIC ACID) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

b-Resorcylic acid, 5-bromo-(6CI,7CI,8CI);2,4-Dihydroxy-5-bromobenzoic acid;5-Bromo-2,4-dihydroxybenzoicacid;5-Bromo-4-hydroxysalicylic acid;NSC 60106;5-bromo-2,4-dihydroxybenzoic aci;Benzoic acid, 5-bromo-2,4-dihydroxy-;

Article Data 17

Benzoic acid,5-bromo-2,4-dihydroxy- Specification

The Benzoic acid,5-bromo-2,4-dihydroxy-, with the CAS registry number 7355-22-8 and EINECS registry number 230-881-9, has the systematic name and IUPAC name of 5-bromo-2,4-dihydroxybenzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C7H5BrO4.

The characteristics of Benzoic acid,5-bromo-2,4-dihydroxy- are as followings: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 44.63 cm3; (15)Molar Volume: 115 cm3; (16)Polarizability: 17.69×10-24cm3; (17)Surface Tension: 85.7 dyne/cm; (18)Density: 2.026 g/cm3; (19)Flash Point: 217.9 °C; (20)Enthalpy of Vaporization: 73.06 kJ/mol; (21)Boiling Point: 436.7 °C at 760 mmHg; (22)Vapour Pressure: 2.13E-08 mmHg at 25°C. 

Uses of Benzoic acid,5-bromo-2,4-dihydroxy-: It can react with 2,4-dihydroxy-benzoic acid to produce 3,5-dibromo-2,4-dihydroxy-benzoic acid. This reaction will need reagent Br2, and the acetic acid. The reaction time is 5 hours with temperature of 25°C, and the yield is about 75%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(c(O)cc1O)C(=O)O
(2)InChI: InChI=1/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)
(3)InChIKey: ZRBCISXJLHZOMS-UHFFFAOYAP

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