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| CAS No.: | 67191-93-9 |
|---|---|
| Name: | 5-FLUORO-2-METHYLPHENYL ISOCYANATE |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6FNO |
| Molecular Weight: | 151.14 |
| Synonyms: | 5-Fluoro-2-methylphenylisocyanate;4-Fluoro-2-isocyanato-1-methylbenzene;5-Fluoro-2-methylphenylisocyanate97%;5-Fluoro-2-methylphenyl isocyanate 97%; |
| EINECS: | 266-602-2 |
| Density: | 1.1 g/cm3 |
| Boiling Point: | 201.7 °C at 760 mmHg |
| Flash Point: | 73.4 °C |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 Xn, T, C
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 2206 |
| PSA: | 29.43000 |
| LogP: | 2.10140 |
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- Total:32 Page 1 of 1 1
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Specification
This chemical is called 5-Fluoro-2-methylphenyl isocyanate, and its IUPAC name is 4-fluoro-2-isocyanato-1-methylbenzene. With the molecular formula of C8H6FNO, its molecular weight is 151.14. The CAS registry number of this chemical is 67191-93-9. Additionally, its product categories are Isocyanate; Isocyanates; Nitrogen Compounds; Organic Building Blocks.
Other characteristics of the 5-Fluoro-2-methylphenyl isocyanatecan be summarised as followings: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 163.16; (6)ACD/BCF (pH 7.4): 163.16; (7)ACD/KOC (pH 5.5): 1334.73; (8)ACD/KOC (pH 7.4): 1334.73; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 40.45 cm3; (15)Molar Volume: 136.7 cm3; (16)Polarizability: 16.03×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 73.4 °C; (20)Enthalpy of Vaporization: 43.8 kJ/mol; (21)Boiling Point: 201.7 °C at 760 mmHg; (22)Vapour Pressure: 0.303 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful 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: Fc1cc(/N=C=O)c(cc1)C
2.InChI: InChI=1/C8H6FNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
3.InChIKey: KRAMFLATTKXGOW-UHFFFAOYAD