1H-Pyrrole-2-carboxamide,5-bromo- supplier

Name
5-Bromo-1H-pyrrole-2-carboxamide
EINECS
CAS No. 17543-94-1
Article Data3
CAS DataBase
Density 1.841 g/cm³
Solubility
Melting Point 136-138 °C
Formula C₅H₅BrN₂O
Boiling Point 370.132 °C at 760 mmHg
Molecular Weight 189.011
Flash Point 177.65 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Bromopyrrole-2-carboamide;
PSA 58.88000
LogP 1.57640

1H-Pyrrole-2-carboxamide,5-bromo- Specification

The 1H-Pyrrole-2-carboxamide,5-bromo-, with the CAS registry number 17543-94-1, is also known as 5-Bromopyrrole-2-carboamide. It belongs to the product categories of Azoles; Blocks; Bromides; Carboxes. This chemical's molecular formula is C₅H₅BrN₂O and molecular weight is 189.01. What's more, its systematic name is called 5-Bromo-1H-pyrrole-2-carboxamide.

Physical properties about 1H-Pyrrole-2-carboxamide,5-bromo- are: (1)ACD/LogP: 0.97; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 84; (8)ACD/KOC (pH 7.4): 84; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.88 Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 37.307 cm³; (15)Molar Volume: 102.642 cm³; (16)Polarizability: 14.789×10^-24cm³; (17)Surface Tension: 65.325 dyne/cm; (18)Density: 1.841 g/cm³; (19)Flash Point: 177.65 °C; (20)Enthalpy of Vaporization: 61.699 kJ/mol; (21)Boiling Point: 370.132 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c1ccc(Br)n1
(2) InChI: InChI=1/C5H5BrN2O/c6-4-2-1-3(8-4)5(7)9/h1-2,8H,(H2,7,9)
(3) InChIKey: IUCIXLJBQZTUQS-UHFFFAOYAV

Product Name

5-Bromo-1H-pyrrole-2-carboxamide

1H-Pyrrole-2-carboxamide,5-bromo- Specification

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