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| CAS No.: | 403-33-8 |
|---|---|
| Name: | Methyl 4-fluorobenzoate |
| Article Data: | 174 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C8H7FO2 |
| Molecular Weight: | 154.141 |
| Synonyms: | Benzoicacid, p-fluoro-, methyl ester (6CI,7CI,8CI);4-Fluorobenzoic acid methyl ester;Methyl p-fluorobenzoate;NSC 102770;4-Fluorobenzoic methyl ester; |
| EINECS: | 206-956-7 |
| Density: | 1.171 g/cm3 |
| Melting Point: | 4.5 °C |
| Boiling Point: | 190.4 °C at 760 mmHg |
| Flash Point: | 67.4 °C |
| Hazard Symbols: |
 Xi,  T,  Xn
|
| Risk Codes: | 22-37/38-41-36/38 |
| Safety: | 26-36/39-36 |
| PSA: | 26.30000 |
| LogP: | 1.61230 |
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Specification
The CAS register number of 4-Fluorobenzoic acid methyl ester is 403-33-8. It also can be called as Benzoicacid, 4-fluoro-, methyl ester and the IUPAC name about this chemical is methyl 4-fluorobenzoate. The molecular formula about this chemical is C8H7FO2 and the molecular weight is 154.14. It belongs to the following product categories, such as Aromatic Esters; Esters; Phenyls & Phenyl-Het; Acids & Esters; Fluorine Compounds; Phenyls & Phenyl-Het; C8 to C9; Carbonyl Compounds and so on.
Physical properties about 4-Fluorobenzoic acid methyl ester are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 2.28; (3)ACD/LogD (pH 7.4): 2.28; (4)ACD/BCF (pH 5.5): 31.7; (5)ACD/BCF (pH 7.4): 31.7; (6)ACD/KOC (pH 5.5): 413.09; (7)ACD/KOC (pH 7.4): 413.09; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.489; (12)Molar Refractivity: 38.01 cm3; (13)Molar Volume: 131.5 cm3; (14)Polarizability: 15.07x10-24cm3; (15)Surface Tension: 34.7 dyne/cm; (16)Enthalpy of Vaporization: 42.66 kJ/mol; (17)Boiling Point: 190.4 °C at 760 mmHg; (18)Vapour Pressure: 0.543 mmHg at 25°C.
Preparation: this chemical can be prepared by methanol and 4-fluoro-benzoic acid. This reaction will need reagent H2SO4.
Uses of 4-Fluorobenzoic acid methyl ester: it can be used to produce 4-fluoro-benzoic acid hydrazide. This reaction will need reagent hydrazine hydrate.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin, it has risk of serious damage to the eyes. When you are using it, wear suitable protective clothing 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: O=C(OC)c1ccc(F)cc1
(2)InChI: InChI=1/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
(3)InChIKey: MSEBQGULDWDIRW-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
(5)Std. InChIKey: MSEBQGULDWDIRW-UHFFFAOYSA-N