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| CAS No.: | 137654-20-7 |
|---|---|
| Name: | 2-FLUORO-3-METHOXYBENZOIC ACID |
| Molecular Structure: | |
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| Formula: | C8H7FO3 |
| Molecular Weight: | 170.14 |
| Synonyms: | 2-Fluoro-3-(methyloxy)benzoicacid;2-Fluoro-3-methoxybenzenecarboxylic acid;2-Fluoro-3-methoxybenzoic acid;2-Fluoro-m-anisic acid;3-Methoxy-2-fluorobenzoic acid; |
| EINECS: | 630-179-6 |
| Density: | 1.307 g/cm3 |
| Melting Point: | 157-160 °C |
| Boiling Point: | 296.6 °C at 760 mmHg |
| Flash Point: | 133.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 46.53000 |
| LogP: | 1.53250 |
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Specification
The Benzoic acid,2-fluoro-3-methoxy-, with the CAS registry number 137654-20-7, is also known as 2-Fluoro-3-methoxybenzoic acid 98%. It belongs to the product categories of Blocks; Carboxes; FluoroCompounds; Benzoic acid. This chemical's molecular formula is C8H7FO3 and molecular weight is 170.14. Its IUPAC name is called 2-fluoro-3-methoxybenzoate.
Physical properties of Benzoic acid,2-fluoro-3-methoxy-: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.39; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.524; (11)Molar Refractivity: 39.85 cm3; (12)Molar Volume: 130.1 cm3; (13)Surface Tension: 42.9 dyne/cm; (14)Density: 1.307 g/cm3; (15)Flash Point: 133.2 °C; (16)Enthalpy of Vaporization: 56.64 kJ/mol; (17)Boiling Point: 296.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000641 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. 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)Canonical SMILES: COC1=CC=CC(=C1F)C(=O)[O-]
(2)InChI: InChI=1S/C8H7FO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11)/p-1
(3)InChIKey: AVGWCJLTQZQLCN-UHFFFAOYSA-M