1H-Pyrrole-2-carboxaldehyde,4,5-dibromo- supplier

Name
4,5-DIBROMO-1H-PYRROLE-2-CARBOXALDEHYDE
EINECS
CAS No. 932-82-1
Article Data10
CAS DataBase
Density 2.262 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
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;
PSA 32.86000
LogP 2.35220

1H-Pyrrole-2-carboxaldehyde,4,5-dibromo- 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

Product Name

4,5-DIBROMO-1H-PYRROLE-2-CARBOXALDEHYDE

1H-Pyrrole-2-carboxaldehyde,4,5-dibromo- Specification

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