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| CAS No.: | 190774-57-3 |
|---|---|
| Name: | 2-Propylphenyl isocyanate |
| Molecular Structure: | |
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|
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| Formula: | C10H11NO |
| Molecular Weight: | 161.203 |
| Synonyms: | 2-Propylphenylisocyanate; |
| Density: | 0.97 g/cm3 |
| Boiling Point: | 0.97 g/cm3 |
| Flash Point: | 81.6 °C |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38-42; |
| Safety: | 26-36/37/39-45-23 |
| Transport Information: | UN 2206 6.1/PG 3 |
| PSA: | 29.43000 |
| LogP: | 2.60640 |
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Specification
The 2-Propylphenyl isocyanate, its cas register number is 190774-57-3. It also can be called as Benzene,1-isocyanato-2-propyl- and the IUPAC name about this chemical is 1-isocyanato-2-propylbenzene. It belongs to the following product categories, such as isocyanate, isocyanates, nitrogen compounds, organic building blocks and so on. If you want to store this chemical, the temperaturemust between 0 °C and 6 °C.
Physical properties about 2-Propylphenyl isocyanate are: (1)ACD/LogP: 4.11; (2)ACD/LogD (pH 5.5): 4.1; (3)ACD/LogD (pH 7.4): 4.1; (4)ACD/BCF (pH 5.5): 775.81; (5)ACD/BCF (pH 7.4): 775.81; (6)ACD/KOC (pH 5.5): 4074.64; (7)ACD/KOC (pH 7.4): 4074.64; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.43Å2; (11)Index of Refraction: 1.511; (12)Molar Refractivity: 49.8 cm3; (13)Molar Volume: 166 cm3; (14)Polarizability: 19.74x10-24cm3; (15)Surface Tension: 34.8 dyne/cm; (16)Enthalpy of Vaporization: 46.75 kJ/mol; (17)Vapour Pressure: 0.0644 mmHg at 25°C
When you are using this chemical, you should be very cautious. Being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin, and it is harmful by inhalation, in contact with skin and if swallowed, also it may cause sensitization by inhalation. When you are contacting with it, wear suitable protective clothing, gloves and eye/face protection, also remember not breathe vapour. And if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1=CC=CC=C1N=C=O
(2)InChI: InChI=1S/C10H11NO/c1-2-5-9-6-3-4-7-10(9)11-8-12/h3-4,6-7H,2,5H2,1H3
(3)InChIKey: NSGTVMQTRFUUSL-UHFFFAOYSA-N