Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Fluoro-3-methoxybenzonitrile |
EINECS | -0 |
CAS No. | 243128-37-2 | Density | 1.18 g/cm3 |
PSA | 33.02000 | LogP | 1.70598 |
Solubility | N/A | Melting Point |
109 °C |
Formula | C8H6FNO | Boiling Point | 234.3 °C at 760 mmHg |
Molecular Weight | 151.14 | Flash Point | 95.5 °C |
Transport Information | UN 3439 | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | T, Xi | |
Synonyms |
ZINC02574868;3-Methoxy-4-fluorobenzonitrile;AC1MC776;MolPort-001-776-397;SBB063008;AKOS005063947;AC-4078;CID2737365; |
Article Data | 3 |
The 4-Fluoro-3-methoxybenzonitrile with CAS registry number of 243128-37-2 is also known as 3-Methoxy-4-fluorobenzonitrile. The IUPAC name and product name are the same. It belongs to product categories of Halide; Blocks; Carboxes; FluoroCompounds; Nitrile; Anisoles, Alkyloxy Compounds & Phenylacetates. In addition, the formula is C8H6FNO and the molecular weight is 151.14.
Physical properties about 4-Fluoro-3-methoxybenzonitrile are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.33; (6)ACD/BCF (pH 7.4): 7.33; (7)ACD/KOC (pH 5.5): 144.83; (8)ACD/KOC (pH 7.4): 144.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 37.79 cm3; (14)Molar Volume: 127.3 cm3; (15)Surface Tension: 39.3 dyne/cm; (16)Density: 1.18 g/cm3; (17)Flash Point: 95.5 °C; (18)Enthalpy of Vaporization: 47.1 kJ/mol; (19)Boiling Point: 234.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0534 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it's harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves 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. Canonical SMILES: COC1=C(C=CC(=C1)C#N)F
2. InChI: InChI=1S/C8H6FNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
3. InChIKey: FOWHAPVFVBXMBK-UHFFFAOYSA-N