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| CAS No.: | 682805-00-1 |
|---|---|
| Name: | 2-Fluoro-4-methoxycinnamic acid |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C10H9FO3 |
| Molecular Weight: | 196.178 |
| Synonyms: | (2E)-3-(2-Fluoro-4-methoxyphenyl)acrylic acid;2-Propenoic acid, 3-(2-fluoro-4-methoxyphenyl)-, (2E)-;2-Propenoic acid,3-(2-fluoro-4-methoxyphenyl)-; |
| Density: | 1.28 g/cm3 |
| Boiling Point: | 325 °C at 760 mmHg |
| Flash Point: | 150.3 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 46.53000 |
| LogP: | 1.93210 |
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Specification
The 2-Fluoro-4-methoxycinnamic acid, with the CAS registry number 682805-00-1, is also known as (2E)-3-(2-Fluoro-4-methoxyphenyl)acrylic acid. This chemical's molecular formula is C10H9FO3 and formula weight is 196.18. What's more, its systematic name is (E)-3-(2-fluoro-4-methoxy-phenyl)prop-2-enoic acid.
Physical properties of 2-Fluoro-4-methoxycinnamic acid are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 46.53 Å2; (8)Index of Refraction: 1.571; (9)Molar Refractivity: 50.37 cm3; (10)Molar Volume: 153.2 cm3; (11)Surface Tension: 44.5 dyne/cm; (12)Density: 1.28 g/cm3; (13)Flash Point: 150.3 °C; (14)Enthalpy of Vaporization: 59.86 kJ/mol; (15)Boiling Point: 325 °C at 760 mmHg; (16)Vapour Pressure: 9.69E-05 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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(c(c1)F)C=CC(=O)O
(2)InChI: InChI=1S/C10H9FO3/c1-14-8-4-2-7(9(11)6-8)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+
(3)InChIKey: KDSPBZWHHBVYFN-HWKANZROSA-N