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| CAS No.: | 857283-60-4 |
|---|---|
| Name: | 1-(4-ISOCYANATOPHENYL)-1H-PYRROLE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C11H8N2O |
| Molecular Weight: | 184.19 |
| Synonyms: | 4-(1H-Pyrrol-1-yl)phenyl isocyanate; |
| Density: | 1.11 g/cm3 |
| Melting Point: | 64.5-66.5 °C |
| Boiling Point: | 291.4 °C at 760 mmHg |
| Flash Point: | 130 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 34.36000 |
| LogP: | 2.44460 |
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- Total:3 Page 1 of 1 1
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Specification
The 1H-Pyrrole,1-(4-isocyanatophenyl)-, with the CAS registry number 857283-60-4, is also known as 4-(1H-Pyrrol-1-yl)phenyl isocyanate. This chemical's molecular formula is C11H8N2O and molecular weight is 184.19. What's more, its systematic name is called 1-(4-Isocyanatophenyl)-1H-pyrrole. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 1H-Pyrrole,1-(4-isocyanatophenyl)- are: (1) ACD/LogP: 3.44; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 34.36 Å2; (7) Index of Refraction: 1.592; (8) Molar Refractivity: 56 cm3; (9) Molar Volume: 165.4 cm3; (10) Surface Tension: 45.2 dyne/cm; (11) Density: 1.11 g/cm3; (12) Flash Point: 130 °C; (13) Enthalpy of Vaporization: 53.08 kJ/mol; (14) Boiling Point: 291.4 °C at 760 mmHg; (15) Vapour Pressure: 0.00196 mmHg at 25 °C; (16) Melting Point: 64.5-66.5 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C=N/c1ccc(cc1)n2cccc2
(2) InChI: InChI=1/C11H8N2O/c14-9-12-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H
(3) InChIKey: XZPOEEDBGHTYQC-UHFFFAOYAG