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CAS No.: | 2252-50-8 |
---|---|
Name: | 2-Chloro-5-fluorobenzoic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H4ClFO2 |
Molecular Weight: | 174.559 |
Synonyms: | 2-chloro-5-fluorobenzoic acid;5-fluoro-2-chlorobenzoic acid;2-chloro-5-fluoro benzoic acid;2-Chloro-5-Fluorobenzoic Acid 99%;2-chloro-5-fluoro-benzoic acid;Benzoic acid, 2-chloro-5-fluoro-; |
EINECS: | 216-430-9 |
Density: | 1.477 g/cm3 |
Melting Point: | 147-149 °C |
Boiling Point: | 275.3 °C at 760 mmHg |
Flash Point: | 120.3 °C |
Appearance: | white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 22-24/25 |
PSA: | 37.30000 |
LogP: | 2.17730 |
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The 2-Chloro-5-fluorobenzoic acid, with the CAS registry number 2252-50-8, belongs to the following product categories: Fine chemical & intermediates; Blocks; Carboxes; Fluoro Compounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Miscellaneous; Acids & Esters; Chlorine Compounds; Fluorine Compounds; Benzoic acid Series; Benzenes. And the molecular formula of this chemical is C7H4ClFO2. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The physical properties of 2-Chloro-5-fluorobenzoic acid are as following: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 38.07 cm3; (13)Molar Volume: 118.1 cm3; (14)Polarizability: 15.09×10-24cm3; (15)Surface Tension: 48.9 dyne/cm; (16)Density: 1.477 g/cm3; (17)Flash Point: 120.3 °C; (18)Enthalpy of Vaporization: 54.27 kJ/mol; (19)Boiling Point: 275.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00249 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(F)ccc1Cl
(2)InChI: InChI=1/C7H4ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: MIZKCMSSYVUZKD-UHFFFAOYAJ