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27472-36-2

Basic Information
CAS No.: 27472-36-2
Name: 1H-Pyrrole-2-methanol
Article Data: 13
Cas Database
Molecular Structure:
Molecular Structure of 27472-36-2 (1H-Pyrrole-2-methanol)
Formula: C5H7NO
Molecular Weight: 97.1167
Synonyms: 2-Methylolpyrrole;Pyrrolyl-2-carbinol;Pyrrole-2-methanol(6CI,7CI,8CI);2-(Hydroxymethyl)pyrrole;1H-pyrrol-2-ylmethanol;
EINECS: N/A
Density: 1.191 g/cm3
Melting Point: 117.5-118 °C
Boiling Point: 246.325 °C at 760 mmHg
Flash Point: 102.774 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 36.02000
LogP: 0.50700
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Specification

The 1H-Pyrrole-2-methanol, with the CAS registry number 27472-36-2, is also called 1H-Pyrrol-2-ylmethanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H7NO.

The characteristics of 1H-Pyrrole-2-methanol are as followings: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14; (8)ACD/KOC (pH 7.4): 14; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.02 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 27.137 cm3; (15)Molar Volume: 81.572 cm3; (16)Polarizability: 10.758×10-24cm3; (17)Surface Tension: 53.314 dyne/cm; (18)Density: 1.191 g/cm3; (19)Flash Point: 102.774 °C; (20)Enthalpy of Vaporization: 51.085 kJ/mol; (21)Boiling Point: 246.325 °C at 760 mmHg; (22)Vapour Pressure: 0.015 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc1cccn1
(2)InChI: InChI=1/C5H7NO/c7-4-5-2-1-3-6-5/h1-3,6-7H,4H2
(3)InChIKey: KORIJXKQGMTQTO-UHFFFAOYAS