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| CAS No.: | 367-83-9 |
|---|---|
| Name: | 2-Fluoro-5-methoxybenzoic acid |
| Molecular Structure: | |
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| Formula: | C8H7FO3 |
| Molecular Weight: | 170.14 |
| Synonyms: | m-Anisicacid, 6-fluoro- (6CI,8CI);2-Fluoro-5-(methyloxy)benzoic acid;2-Fluoro-5-methoxybenzoic acid;6-Fluoro-3-methoxybenzoic acid; |
| Density: | 1.307 g/cm3 |
| Melting Point: | 146-150 °C |
| Boiling Point: | 302.7 °C at 760 mmHg |
| Flash Point: | 136.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.53000 |
| LogP: | 1.53250 |
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Specification
This chemical is called 2-Fluoro-5-methoxybenzoic acid, and its systematic name is 2-fluoro-5-methoxybenzoic acid. With the molecular formula of C8H7FO3, its molecular weight is 170.14. The CAS registry number of this chemical is 367-83-9. Additionally, its product categories are Benzoic Acid; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds.
Other characteristics of the 2-Fluoro-5-methoxybenzoic acid can be summarised as followings: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -1.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.62; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 39.85 cm3; (15)Molar Volume: 130.1 cm3; (16)Polarizability: 15.79×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.307 g/cm3; (19)Flash Point: 136.9 °C; (20)Enthalpy of Vaporization: 57.33 kJ/mol; (21)Boiling Point: 302.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000429 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. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(cc(OC)cc1)C(=O)O
2.InChI: InChI=1/C8H7FO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
3.InChIKey: REDSLTKMNCCQBC-UHFFFAOYAD