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3883-95-2

Basic Information
CAS No.: 3883-95-2
Name: 3-BROMO-2-HYDROXYBENZOIC ACID
Article Data: 16
Molecular Structure:
Molecular Structure of 3883-95-2 (3-BROMO-2-HYDROXYBENZOIC ACID)
Formula: C7H5BrO3
Molecular Weight: 217.019
Synonyms: Salicylicacid, 3-bromo- (6CI,7CI,8CI);3-Bromo-2-hydroxybenzoic acid;3-Bromosalicylicacid;
Density: 1.861 g/cm3
Melting Point: 219-220 °C
Boiling Point: 301.4 °C at 760 mmHg
Flash Point: 136.1 °C
PSA: 57.53000
LogP: 1.85290
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  • 3-Bromo-2-hydroxybenzoic acid

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    3-Bromo-2-hydroxybenzoic acid

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    3883-95-2

    3-BROMO-2-HYDROXYBENZOIC ACID

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  • 3-bromo-2-hydroxybenzoic acid

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    3883-95-2

    3-bromo-2-hydroxybenzoic acid

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  • 3-BroMo-2-hydroxybenzoic acid

  • Casno:

    3883-95-2

    3-BroMo-2-hydroxybenzoic acid

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Specification

The Benzoic acid,3-bromo-2-hydroxy-, with CAS registry number 3883-95-2, belongs to the following product category: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. It has the systematic name of 3-bromo-2-hydroxybenzoic acid. And the chemical formula of this chemical is C7H5BrO3.

Physical properties of Benzoic acid,3-bromo-2-hydroxy-: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -0.06; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 42.75 cm3; (15)Molar Volume: 116.5 cm3; (16)Polarizability: 16.94×10-24cm3; (17)Surface Tension: 68.1 dyne/cm; (18)Density: 1.861 g/cm3; (19)Flash Point: 136.1 °C; (20)Enthalpy of Vaporization: 57.18 kJ/mol; (21)Boiling Point: 301.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000469 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(C(=O)O)c1O
(2)InChI: InChI=1/C7H5BrO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
(3)InChIKey: BHPSQWRVKOPSOQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H5BrO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
(5)Std. InChIKey: BHPSQWRVKOPSOQ-UHFFFAOYSA-N