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| CAS No.: | 932-82-1 |
|---|---|
| Name: | 4,5-DIBROMO-1H-PYRROLE-2-CARBOXALDEHYDE |
| Molecular Structure: | |
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| Formula: | C5H3Br2NO |
| Molecular Weight: | 252.893 |
| Synonyms: | Pyrrole-2-carboxaldehyde,4,5-dibromo- (7CI,8CI);4,5-Dibromopyrrole-2-carboxaldehyde;4,5-dibromo-1H-pyrrole-2-carbaldehyde; |
| Density: | 2.262 g/cm3 |
| Melting Point: | 144-148°C |
| Boiling Point: | 341.9 °C at 760 mmHg |
| Flash Point: | 160.6 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 32.86000 |
| LogP: | 2.35220 |
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Specification
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