Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrrole-2-carboxaldehyde,4,5-dibromo- |
EINECS | N/A |
CAS No. | 932-82-1 | Density | 2.262 g/cm3 |
PSA | 32.86000 | LogP | 2.35220 |
Solubility | N/A | Melting Point |
144-148°C |
Formula | C5H3Br2NO | Boiling Point | 341.9 °C at 760 mmHg |
Molecular Weight | 252.893 | Flash Point | 160.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Pyrrole-2-carboxaldehyde,4,5-dibromo- (7CI,8CI);4,5-Dibromopyrrole-2-carboxaldehyde;4,5-dibromo-1H-pyrrole-2-carbaldehyde; |
Article Data | 10 |
The 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo-, with the CAS registry number 932-82-1, has the systematic name and IUPAC name of 4,5-dibromo-1H-pyrrole-2-carbaldehyde. It belongs to the following product categories: Azoles; Blocks; Bromides; Carboxes. And the molecular formula of the chemical is C5H3Br2NO.
The characteristics of 1H-Pyrrole-2-carboxaldehyde,4,5-dibromo- are as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22 Å2; (7)Index of Refraction: 1.691; (8)Molar Refractivity: 42.81 cm3; (9)Molar Volume: 111.7 cm3; (10)Polarizability: 16.97×10-24cm3; (11)Surface Tension: 61.3 dyne/cm; (12)Density: 2.262 g/cm3; (13)Flash Point: 160.6 °C; (14)Enthalpy of Vaporization: 58.57 kJ/mol; (15)Boiling Point: 341.9 °C at 760 mmHg; (16)Vapour Pressure: 7.78E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cc(Br)c(Br)n1
(2)InChI: InChI=1/C5H3Br2NO/c6-4-1-3(2-9)8-5(4)7/h1-2,8H
(3)InChIKey: IJBMHOCPMBSRPX-UHFFFAOYAT