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| CAS No.: | 1978-33-2 |
|---|---|
| Name: | 2-Fluoro-3-methylaniline |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8FN |
| Molecular Weight: | 125.146 |
| Synonyms: | m-Toluidine,2-fluoro- (6CI,8CI); |
| Density: | 1.115 g/cm3 |
| Boiling Point: | 187.613 °C at 760 mmHg |
| Flash Point: | 80.338 °C |
| Hazard Symbols: |
 Xi, T, Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 2.29750 |
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Specification
The Benzenamine,2-fluoro-3-methyl-, with the CAS registry number 1978-33-2, is also known as 3-Amino-2-fluorotoluene. It belongs to the product categories of Fluorin-Contained Toluene Series; Anilines, Aromatic Amines and Nitro Compounds; Aniline; Halogen Toluene; Aniline Series. This chemical's molecular formula is C7H8FN and molecular weight is 125.14. What's more, both its IUPAC name and systematic name are the same which is called 2-Fluoro-3-methylaniline. It should be kept in a cold and dry place.
Physical properties about Benzenamine,2-fluoro-3-methyl- are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 207; (8)ACD/KOC (pH 7.4): 209; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 35.308 cm3; (15)Molar Volume: 112.199 cm3; (16)Surface Tension: 37.624 dyne/cm; (17)Density: 1.115 g/cm3; (18)Flash Point: 80.338 °C; (19)Enthalpy of Vaporization: 42.383 kJ/mol; (20)Boiling Point: 187.613 °C at 760 mmHg; (21)Vapour Pressure: 0.625 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. It may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cccc(N)c1F
(2) InChI: InChI=1S/C7H8FN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
(3) InChIKey: WFZUBZAEFXETBF-UHFFFAOYSA-N