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Methyl 4-fluorobenzoate

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Name

Methyl 4-fluorobenzoate

EINECS 206-956-7
CAS No. 403-33-8 Density 1.171 g/cm3
PSA 26.30000 LogP 1.61230
Solubility N/A Melting Point 4.5 °C
Formula C8H7FO2 Boiling Point 190.4 °C at 760 mmHg
Molecular Weight 154.141 Flash Point 67.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/39-36 Risk Codes 22-37/38-41-36/38
Molecular Structure Molecular Structure of 403-33-8 (Methyl 4-fluorobenzoate) Hazard Symbols IrritantXi, ToxicT, HarmfulXn
Synonyms

Benzoicacid, p-fluoro-, methyl ester (6CI,7CI,8CI);4-Fluorobenzoic acid methyl ester;Methyl p-fluorobenzoate;NSC 102770;4-Fluorobenzoic methyl ester;

Article Data 174

Methyl 4-fluorobenzoate 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.

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

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