3,5-Dichloro-4-fluorobenzoic acid supplier

Name
3,5-Dichloro-4-fluorobenzoic acid
EINECS
CAS No. 98191-30-1
Article Data3
CAS DataBase
Density 1.606 g/cm³
Solubility
Melting Point
Formula C₇H₃Cl₂FO₂
Boiling Point 317.7 °C at 760 mmHg
Molecular Weight 209.004
Flash Point 146 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3,5-Dichloro-4-fluorobenzoicacid;
PSA 37.30000
LogP 2.83070

3,5-Dichloro-4-fluorobenzoic acid Specification

This chemical is called 3,5-Dichloro-4-fluorobenzoic acid, and its systematic name is 3,5-dichloro-4-fluorobenzoic acid. With the molecular formula of C₇H₃Cl₂FO₂, its molecular weight is 209.00. The CAS registry number of this chemical is 98191-30-1. Additionally, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid.

Other characteristics of the 3,5-Dichloro-4-fluorobenzoic acid can be summarised as followings: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 9.65; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 45.65; (8)ACD/KOC (pH 7.4): 4.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 42.96 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 17.03×10^-24cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.606 g/cm³; (19)Flash Point: 146 °C; (20)Enthalpy of Vaporization: 59.03 kJ/mol; (21)Boiling Point: 317.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000158 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(cc(Cl)c1F)C(O)=O
2.InChI: InChI=1/C7H3Cl2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
3.InChIKey: CRRHVMZOOBWYRG-UHFFFAOYAQ

Product Name

3,5-Dichloro-4-fluorobenzoic acid

3,5-Dichloro-4-fluorobenzoic acid Specification

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