CAS No.705-79-3,3-Chloro-4-fluorophenylacetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	705-79-3
Name:	3-Chloro-4-fluorophenylacetic acid

Formula:	C₈H₆ClFO₂
Molecular Weight:	188.586
Synonyms:	(3-Chloro-4-fluorophenyl)acetic acid;2-(3-Chloro-4-fluorophenyl)acetic acid;3-Chloro-4-fluorobenzeneacetic acid;Benzeneacetic acid, 3-chloro-4-fluoro-;
Density:	1.417 g/cm³
Melting Point:	55-58°C
Boiling Point:	302 °C at 760 mmHg
Flash Point:	136.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	37.30000
LogP:	2.10620

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Specification

The CAS registry number of 3-Chloro-4-fluorophenylacetic acid is 705-79-3. The IUPAC name is (3-chloro-4-fluorophenyl)acetic acid. In addition, the molecula formula is C₈H₆ClFO₂ and the molecular weight is 188.58. It belongs to the classes of Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid. And it should be stored in a airtight, cool and dry place. The storage place must stay away from oxidant.

Physical properties about this chemical are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): -0.92; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.11; (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: 1.548; (14)Molar Refractivity: 42.25 cm³; (15)Molar Volume: 133 cm³; (16)Polarizability: 16.75 ×10^-24cm³; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.417 g/cm³; (19)Flash Point: 136.4 °C; (20)Enthalpy of Vaporization: 57.25 kJ/mol; (21)Boiling Point: 302 °C at 760 mmHg; (22)Vapour Pressure: 0.000451 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1Cl)CC(=O)O
(2)InChI: InChI=1/C8H6ClFO2/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12)
(3)InChIKey: WGODGMOMOMNTRN-UHFFFAOYAO