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Cas Database |
| Name |
4-Bromoindole-3-carboxaldehyde |
EINECS | N/A |
| CAS No. | 98600-34-1 | Density | 1.727 g/cm3 |
| PSA | 32.86000 | LogP | 2.74290 |
| Solubility | N/A | Melting Point |
179-180 °C |
| Formula | C9H6BrNO | Boiling Point | 395.6 °C at 760 mmHg |
| Molecular Weight | 224.057 | Flash Point | 193 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-26-36/37/39 | Risk Codes | 21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
4-Bromo-3-indolecarbaldehyde;4-Bromo-3-formylindole;4-Bromoindole-3-carboxaldehyde 98%;4-Bromo-3-formyl-1H-indole; |
Article Data | 36 |
4-Bromoindole-3-carboxaldehyde Chemical Properties
IUPAC Name: 4-Bromo-1H-indole-3-carbaldehyde
Synonyms of : 4-Bromo-3-indolecarbaldehyde ; 4-Bromo-3-formylindole ; 4-Bromoindole-3-carboxaldehyde 98% ; 4-Bromo-3-formyl-1H-indole
CAS NO: 98600-34-1
Molecular Formula: C9H6BrNO
Molecular Weight: 224.05
Molecular Structure: 
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 22 Å2
Index of Refraction: 1.752
Molar Refractivity: 52.97 cm3
Molar Volume: 129.7 cm3
Surface Tension: 63.5 dyne/cm
Density: 1.727 g/cm3
Flash Point: 193 °C
Enthalpy of Vaporization: 64.57 kJ/mol
Boiling Point: 395.6 °C at 760 mmHg
Vapour Pressure: 1.82E-06 mmHg at 25°C
Melting point: 179-180 ºC
SMILES: Brc1cccc2c1c(cn2)C=O
InChI: InChI=1/C9H6BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H
InChIKey: IPAFHZDRYAWZOB-UHFFFAOYAN
Std. InChI: InChI=1S/C9H6BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H
Std. InChIKey: IPAFHZDRYAWZOB-UHFFFAOYSA-N
Product Categories: Indole;Aldehyde;Building Blocks;Indoles;Simple Indoles
4-Bromoindole-3-carboxaldehyde Safety Profile
Hazard Codes: 
Xn,Xi
Risk Statements: 21/22-36/37/38
21/22: Harmful in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-26-36/37/39
22: Do not breathe dust
36: Wear suitable protective clothing
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
Hazard Note: Irritant
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