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| CAS No.: | 439280-18-9 |
|---|---|
| Name: | 3-Fluoro-5-methoxybenzonitrile |
| Article Data: | 3 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C8H6FNO |
| Molecular Weight: | 151.14 |
| Synonyms: | Benzonitrile, 3-fluoro-5-methoxy-; |
| Density: | 1.186 g/cm3 |
| Melting Point: | 98-100 °C |
| Boiling Point: | 203.498 °C at 760 mmHg |
| Flash Point: | 76.873 °C |
| Hazard Symbols: | Xi |
| PSA: | 33.02000 |
| LogP: | 1.70598 |
- 4393-09-3Benzenemethanamine,2,3-dimethoxy-
- 4394-00-7Niflumic acid
- 4394-05-23-Pyridinecarboxylicacid, 2-[(2,3-dimethylphenyl)amino]-
- 4394-10-93-Pyridinecarboxylicacid, 2-[(4-ethoxyphenyl)amino]-
- 4394-26-71H-Pyrazol-5-amine,1-(2-thienylmethyl)-
- 4394-85-84-Morpholinecarboxaldehyde
- 4394-93-8Methanediamine,N,N,N',N',1,1-hexafluoro-
- 4395-53-3Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione,3-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
- 439555-96-124-94-Chemokine TARC(thymus and activation-regulated) (human) (9CI)
- 4395-65-7Solvent Blue 68
- Total:33 Page 1 of 1 1
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Specification
The 3-Fluoro-5-methoxybenzonitrile, with the CAS registry number 439280-18-9, is also known as Benzonitrile, 3-fluoro-5-methoxy-. It belongs to the product categories of Blocks; Carboxes; Fluoro Compounds; Aromatic Nitriles. This chemical's molecular formula is C8H6FNO and molecular weight is 151.14. What's more, its systematic name is 3-Fluoro-5-methoxybenzonitrile. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, this chemical must be kept in cold storage.
Physical properties about 3-Fluoro-5-methoxybenzonitrile are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 123; (8)ACD/KOC (pH 7.4): 123; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 37.798 cm3; (15)Molar Volume: 127.396 cm3; (16)Polarizability: 14.984×10-24 cm3; (17)Surface Tension: 39.308 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 76.873 °C; (20)Enthalpy of Vaporization: 43.972 kJ/mol; (21)Boiling Point: 203.498 °C at 760 mmHg; (22)Vapour Pressure: 0.277 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(C#N)cc(OC)c1
(2) InChI: InChI=1/C8H6FNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,1H3
(3) InChIKey: GWZXPLKMHPCXDE-UHFFFAOYAN