| Identification | More | [Name]
Indole-2-carboxaldehyde | [CAS]
19005-93-7 | [Synonyms]
1H-INDOLE-2-CARBALDEHYDE
1H-INDOLE-2-CARBOXALDEHYDE
1H-Indole-2-carboxaldehyde (9CI) | [Molecular Formula]
C9H7NO | [MDL Number]
MFCD03001425 | [Molecular Weight]
145.16 | [MOL File]
19005-93-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
138-142 °C | [Boiling point ]
339.1±15.0 °C(Predicted) | [density ]
1.278±0.06 g/cm3(Predicted) | [storage temp. ]
Keep Cold | [solubility ]
Soluble in Methanol. | [form ]
Solution | [pka]
15.05±0.30(Predicted) | [color ]
Clear pale yellow to grey | [Sensitive ]
Air Sensitive | [InChI]
1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H | [InChIKey]
SBNOTUDDIXOFSN-UHFFFAOYSA-N | [SMILES]
O=Cc1cc2ccccc2[nH]1 | [CAS DataBase Reference]
19005-93-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H319 | [Precautionary statements ]
P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36:Irritating to the eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Uses]
Indole-2-carboxaldehyde is a useful starter in indole and natural product chemistry. | [Synthesis Reference(s)]
Tetrahedron, 36, p. 2505, 1980 DOI: 10.1016/0040-4020(80)80230-4 | [Purification Methods]
Recrystallise the indole from aqueous MeOH (m 141-142o), Et2O (m 138o) or sublime it in vacuo (m 138o).The N,N-dimethylhydrazone [127280-17-5] has m 105-106o (from hexane/*C6H6). The thiosemicarbazone has m 229o (dec) (from 50% aqueous EtOH) [Doyle et al. J Chem Soc 2854 1956]. The 2,4-dinitrophenylhydrazone has m 315-320o (dec) (from pyridine/MeOH). [Suzuki et al. Chem Pharm Bull Jpn 39 2170 1991, Beilstein 21 III/IV 3754.] |
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