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42860-02-6

Basic Information
CAS No.: 42860-02-6
Name: 3-Bromo-5-chlorobenzoic acid
Molecular Structure:
Molecular Structure of 42860-02-6 (3-Bromo-5-chlorobenzoic acid)
Formula: C7H4BrClO2
Molecular Weight: 235.465
Synonyms: 3-Bromo-5-chlorobenzoicacid;
Density: 1.809 g/cm3
Melting Point: 190-192 °C
Boiling Point: 332 °C at 760 mmHg
Flash Point: 154.6 °C
Hazard Symbols: IrritantXi
PSA: 37.30000
LogP: 2.80070
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  • 3-BROMO-5-CHLOROBENZOIC ACID

  • Casno:

    42860-02-6

    3-BROMO-5-CHLOROBENZOIC ACID

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    FOB Price:  USD $ 0.0-0.0

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  • 3-bromo-5-chlorobenzoic acid

  • Casno:

    42860-02-6

    3-bromo-5-chlorobenzoic acid

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    Stock products, own laboratory Package:Grams, Kilograms Application:For R&D Transportation:According to customer request Port:Shanghai

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  • 3-Bromo-5-chlorobenzoic acid

  • Casno:

    42860-02-6

    3-Bromo-5-chlorobenzoic acid

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  • 3-BROMO-5-CHLOROBENZOIC ACID

  • Casno:

    42860-02-6

    3-BROMO-5-CHLOROBENZOIC ACID

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • 3-Bromo-5-chlorobenzoic acid

  • Casno:

    42860-02-6

    3-Bromo-5-chlorobenzoic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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Specification

This chemical is called 3-Bromo-5-chlorobenzoic acid, and its systematic name is 3-bromo-5-chlorobenzoic acid. With the molecular formula of C7H4BrClO2, its molecular weight is 235.46. The CAS registry number of this chemical is 42860-02-6. Additionally, its product categories are Blocks; Bromides; Carboxes; Acids & Esters; Bromine Compounds; Chlorine Compounds; Benzoic Acid Series.

Other characteristics of the 3-Bromo-5-chlorobenzoic acid can be summarised as followings: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 3.38; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.09; (8)ACD/KOC (pH 7.4): 1.93; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 45.76 cm3; (15)Molar Volume: 130 cm3; (16)Polarizability: 18.14×10-24cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.809 g/cm3; (19)Flash Point: 154.6 °C; (20)Enthalpy of Vaporization: 60.66 kJ/mol; (21)Boiling Point: 332 °C at 760 mmHg; (22)Vapour Pressure: 5.99E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1cc(C(=O)O)cc(Br)c1
2.InChI: InChI=1/C7H4BrClO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
3.InChIKey: PBRRUJWXRUGGAW-UHFFFAOYAU