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CAS No.: | 261762-52-1 |
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Name: | 4-Chloro-2,6-difluorophenylaceticacid |
Molecular Structure: | |
Formula: | C8H5ClF2O2 |
Molecular Weight: | 206.576 |
Synonyms: | 2-(2-Chloro-3,6-difluorophenyl)aceticacid;(2-Chloro-3,6-difluorophenyl)acetic acid;2-Chloro-3,6-difluorobenzeneacetic acid;2-Chloro-3,6-difluorophenylacetic acid;Benzeneacetic acid, 2-chloro-3,6-difluoro-; |
Density: | 1.505 g/cm3 |
Melting Point: | 135-139℃ |
Boiling Point: | 285.6 °C at 760 mmHg |
Flash Point: | 126.5 °C |
PSA: | 37.30000 |
LogP: | 2.24530 |
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The Benzeneacetic acid,2-chloro-3,6-difluoro-, with the CAS registry number 261762-52-1, has the systematic name of (2-chloro-3,6-difluorophenyl)acetic acid. It is also called 2-(2-Chloro-3,6-difluorophenyl)acetic acid, and belongs to the product category of Phenylacetic acid. In addition, the molecular formula of this chemical is C8H5ClF2O2.
The physical properties of Benzeneacetic acid,2-chloro-3,6-difluoro- are as following: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): -1.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.17; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 42.24 cm3; (15)Molar Volume: 137.2 cm3; (16)Polarizability: 16.74×10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.505 g/cm3; (19)Flash Point: 126.5 °C; (20)Enthalpy of Vaporization: 55.41 kJ/mol; (21)Boiling Point: 285.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0013 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(Cl)c(F)cc1)CC(=O)O
(2)InChI: InChI=1/C8H5ClF2O2/c9-8-4(3-7(12)13)5(10)1-2-6(8)11/h1-2H,3H2,(H,12,13)
(3)InChIKey: RLEIKDZPBYTKEM-UHFFFAOYAM