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CAS No.: | 630424-79-2 |
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Name: | 4-Fluoro-3-methoxycinnamic acid |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H9FO3 |
Molecular Weight: | 196.178 |
Synonyms: | 3-(4-Fluoro-3-methoxyphenyl)acrylicacid;4-Fluoro-3-methoxycinnamic acid; |
Density: | 1.28 g/cm3 |
Boiling Point: | 333.802 °C at 760 mmHg |
Flash Point: | 155.678 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 46.53000 |
LogP: | 1.93210 |
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The 2-Propenoic acid,3-(4-fluoro-3-methoxyphenyl)-, with the CAS registry number 630424-79-2, is also known as 3'-Fluoro-4'-methoxycinnamic acid. It belongs to the product categories of Cinnamic acid; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds. This chemical's molecular formula is C10H9FO3 and molecular weight is 196.18. Its IUPAC name is called (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid.
Physical properties of 2-Propenoic acid,3-(4-fluoro-3-methoxyphenyl)-: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 50.379 cm3; (13)Molar Volume: 153.247 cm3; (14)Surface Tension: 44.507 dyne/cm; (15)Density: 1.28 g/cm3; (16)Flash Point: 155.678 °C; (17)Enthalpy of Vaporization: 60.872 kJ/mol; (18)Boiling Point: 333.802 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)O)F
(2)InChI: InChI=1S/C10H9FO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+
(3)InChIKey: VKZYEBQHWQTZKA-HWKANZROSA-N