Basic Information | Post buying leads | Suppliers |
Name |
1H-Pyrrole,1-(3-isocyanatophenyl)- |
EINECS | N/A |
CAS No. | 857283-59-1 | Density | 1.11 g/cm3 |
PSA | 34.36000 | LogP | 2.44460 |
Solubility | N/A | Melting Point |
46 °C |
Formula | C11H8N2O | Boiling Point | 309.7 °C at 760 mmHg |
Molecular Weight | 184.197 | Flash Point | 141.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-(3-Isocyanatophenyl)-1H-pyrrole; |
The 1H-Pyrrole,1-(3-isocyanatophenyl)-, with the CAS registry number 857283-59-1, is also known as 3-(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-(3-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-(3-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: 141.1 °C; (13) Enthalpy of Vaporization: 55.05 kJ/mol; (14)Boiling Point: 309.7 °C at 760 mmHg; (15) Vapour Pressure: 0.000627 mmHg at 25 °C; (16) Melting Point: 46 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C=N\c1cccc(c1)n2cccc2
(2) InChI: InChI=1/C11H8N2O/c14-9-12-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H
(3) InChIKey: PUPFPJGLDBUOOI-UHFFFAOYAZ