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Cas Database |
| Name |
Methyl 4-bromopyrrole-2-carboxylate |
EINECS | N/A |
| CAS No. | 934-05-4 | Density | 1.674 g/cm3 |
| PSA | 42.09000 | LogP | 1.56380 |
| Solubility | N/A | Melting Point |
100-101°C |
| Formula | C6H6BrNO2 | Boiling Point | 290.5 °C at 760 mmHg |
| Molecular Weight | 204.023 | Flash Point | 129.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Pyrrole-2-carboxylicacid, 4-bromo-, methyl ester (7CI,8CI);Methyl 4-bromopyrrole-2-carboxylate; |
Article Data | 18 |
Methyl 4-bromopyrrole-2-carboxylate Chemical Properties
Molecule structure of 1H-Pyrrole-2-carboxylicacid, 4-bromo-, methyl ester (CAS NO.934-05-4):
IUPAC Name: Methyl 4-bromo-1H-pyrrole-2-carboxylate
Molecular Weight: 204.02134 g/mol
Molecular Formula: C6H6BrNO2
Density: 1.674 g/cm3
Melting Point: 100-101 °C
Boiling Point: 290.5 °C at 760 mmHg
Flash Point: 129.5 °C
Index of Refraction: 1.573
Molar Refractivity: 40.14 cm3
Molar Volume: 121.8 cm3
Polarizability: 15.91×10-24 cm3
Surface Tension: 48.9 dyne/cm
Enthalpy of Vaporization: 52.99 kJ/mol
Vapour Pressure: 0.00206 mmHg at 25 °C
XLogP3-AA: 1.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 4
Exact Mass: 202.958191
MonoIsotopic Mass: 202.958191
Topological Polar Surface Area: 42.1
Heavy Atom Count: 10
Complexity: 140
Canonical SMILES: COC(=O)C1=CC(=CN1)Br
InChI: InChI=1S/C6H6BrNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
InChIKey: ZXFCRVGOHJHZNF-UHFFFAOYSA-N
Product Categories of 1H-Pyrrole-2-carboxylicacid, 4-bromo-, methyl ester (CAS NO.934-05-4): pharmacetical; Esters; Pyrroles & Indoles; API intermediates; Heterocycle intermediates; Benzenes; Pyrroles & Indoles
Methyl 4-bromopyrrole-2-carboxylate Safety Profile
Hazard Codes: 
Xi
HazardClass: IRRITANT
Methyl 4-bromopyrrole-2-carboxylate Specification
1H-Pyrrole-2-carboxylicacid, 4-bromo-, methyl ester (CAS NO.934-05-4) is also named as Methyl 4-bromo-1H-pyrrole-2-carboxylate ; Methyl 4-bromopyrrole-2-carboxylate .
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