Phenol,4-(1H-pyrrol-1-yl)- (23351-09-9)

The 4-(1H-Pyrrol-1-yl)phenol with the cas number 23351-09-9 is also called Phenol,4-(1H-pyrrol-1-yl)-. The IUPAC name is 4-pyrrol-1-ylphenol. Its EINECS registry number is 245-600-5. The molecular formula is C₁₀H₉NO. This chemical belongs to the following product categories: (1)Building Blocks; (2)Heterocyclic Building Blocks; (3)Pyrroles.

The properties of the chemical are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.456; (4)ACD/LogD (pH 7.4): 1.448; (5)ACD/BCF (pH 5.5): 7.528; (6)ACD/BCF (pH 7.4): 7.381; (7)ACD/KOC (pH 5.5): 147.615; (8)ACD/KOC (pH 7.4): 144.729; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.16 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 48.339 cm³; (15)Molar Volume: 144.5 cm³; (16)Polarizability: 19.163×10^-24cm³; (17)Surface Tension: 43.283 dyne/cm; (18)Enthalpy of Vaporization: 56.358 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccn(c1)c2ccc(cc2)O
(2)InChI: InChI=1/C10H9NO/c12-10-5-3-9(4-6-10)11-7-1-2-8-11/h1-8,12H
(3)InChIKey: SSRBBYUGRMSIBT-UHFFFAOYAV