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Cas Database |
| Name |
5-Cyanoindole-3-carboxaldehyde |
EINECS | N/A |
| CAS No. | 17380-18-6 | Density | 1.337 g/cm3 |
| PSA | 56.65000 | LogP | 1.85208 |
| Solubility | Soluble in water. Soluble in acetone. | Melting Point |
248-253 °C |
| Formula | C10H5N2O | Boiling Point | 429.565 °C at 760 mmHg |
| Molecular Weight | 170.17 | Flash Point | 213.593 °C |
| Transport Information | N/A | Appearance | white to off-white crystalline powder |
| Safety | 26-36/37 | Risk Codes | 20/21/22-36/37/38-43 |
| Molecular Structure |
|
Hazard Symbols |
 Xi, Xn
|
| Synonyms |
Indole-5-carbonitrile,3-formyl- (8CI);3-Formyl-1H-indole-5-carbonitrile;3-Formyl-5-cyano-1H-indole;5-Cyanoindole-3-carboxaldehyde; |
Article Data | 30 |
5-Cyanoindole-3-carboxaldehyde Chemical Properties
IUPAC Name: 3-formyl-1H-indole-5-carbonitrile
Synonyms of 1H-Indole-5-carbonitrile,3-formyl- (CAS NO.17380-18-6): 3-Formylindole-5-carbonitrile ; 5-22-06-00313 (Beilstein Handbook Reference) ; 5-Cyano-3-formyl indole ; BRN 0389069 ; Indole-5-carbonitrile, 3-formyl-
CAS NO: 17380-18-6
Molecular Formula of 1H-Indole-5-carbonitrile,3-formyl- (CAS NO.17380-18-6): C10H6N2O
Molecular Weight: 170.1674
Molecular Structure:
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H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 45.79 Å2
Index of Refraction: 1.674
Molar Refractivity: 47.77 cm3
Molar Volume: 127.2 cm3
Surface Tension: 68.7 dyne/cm
Density of 1H-Indole-5-carbonitrile,3-formyl- (CAS NO.17380-18-6): 1.33 g/cm3
Flash Point: 213.6 °C
Enthalpy of Vaporization: 68.49 kJ/mol
Boiling Point: 429.6 °C at 760 mmHg
Vapour Pressure: 1.39E-07 mmHg at 25°C
5-Cyanoindole-3-carboxaldehyde Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 79mg/kg (79mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12038, |
5-Cyanoindole-3-carboxaldehyde Safety Profile
Hazard Codes: 
Xi,
Xn
Risk Statements: 20/21/22-36/37/38-43
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R43: May cause sensitization by skin contact.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37: Wear suitable protective clothing and gloves.
Hazard Note Irritant
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