1H-Pyrrole,1-(3-isocyanatophenyl)- supplier

Name
1-(3-ISOCYANATOPHENYL)-1H-PYRROLE
EINECS
CAS No. 857283-59-1
Density 1.11 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(3-Isocyanatophenyl)-1H-pyrrole;
PSA 34.36000
LogP 2.44460

1H-Pyrrole,1-(3-isocyanatophenyl)- Specification

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

Product Name

1-(3-ISOCYANATOPHENYL)-1H-PYRROLE

1H-Pyrrole,1-(3-isocyanatophenyl)- Specification

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