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| CAS No.: | 177985-32-9 |
|---|---|
| Name: | 2-CHLORO-4-FLUOROPHENYLACETIC ACID |
| Molecular Structure: | |
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|
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| Formula: | C8H6ClFO2 |
| Molecular Weight: | 188.586 |
| Synonyms: | 2-(2-Chloro-4-fluorophenyl)aceticacid; |
| EINECS: | -0 |
| Density: | 1.418 g/cm3 |
| Melting Point: | 101-104 °C |
| Boiling Point: | 292.798 °C at 760 mmHg |
| Flash Point: | 130.88 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 37.30000 |
| LogP: | 2.10620 |
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Specification
The Benzeneacetic acid,2-chloro-4-fluoro-, with the CAS registry number 177985-32-9, is also known as 2-Chloro-4-fluorophenylacetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid. This chemical's molecular formula is C8H6ClFO2 and formula weight is 188.58. What's more, its IUPAC name is 2-(2-chloro-4-fluorophenyl)acetic acid. It is irritant.
Physical properties of Benzeneacetic acid,2-chloro-4-fluoro- are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 0.21; (3)ACD/LogD (pH 7.4): -1.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.49; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 42.25 cm3; (14)Molar Volume: 133 cm3; (15)Surface Tension: 47.1 dyne/cm; (16)Density: 1.417 g/cm3; (17)Flash Point: 130.9 °C; (18)Enthalpy of Vaporization: 56.22 kJ/mol; (19)Boiling Point: 292.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000819 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. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides you should also wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1F)Cl)CC(=O)O
(2)InChI: InChI=1S/C8H6ClFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
(3)InChIKey: CDUSPKFHAVQVRQ-UHFFFAOYSA-N