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| CAS No.: | 5416-80-8 |
|---|---|
| Name: | 2-Methylindole-3-carboxaldehyde |
| Article Data: | 81 |
| Molecular Structure: | |
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| Formula: | C10H9NO |
| Molecular Weight: | 159.188 |
| Synonyms: | 2-Methyl-1H-indole-3-carbaldehyde;3-Formyl-2-methylindole;2-Methyl-3-formylindole;Indole-3-carboxaldehyde, 2-methyl- (8CI);1H-Indole-3-carboxaldehyde, 2-methyl-;Indole-3-carboxaldehyde, 2-methyl-; |
| EINECS: | 226-512-6 |
| Density: | 1.226 g/cm3 |
| Melting Point: | 200-201 °C(lit.) |
| Boiling Point: | 344.3 °C at 760 mmHg |
| Flash Point: | 169.9 °C |
| Appearance: | Brown powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 32.86000 |
| LogP: | 2.28880 |
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Specification
The 2-Methylindole-3-carboxaldehyde, with the CAS registry number 5416-80-8, is also known as 2-Methyl-3-formylindole. It belongs to the product categories of Aldehyde; Indoles and Derivatives; Indoles; Simple Indoles; Building Blocks; Heterocyclic Building Blocks. Its EINECS registry number is 226-512-6. This chemical's molecular formula is C10H9NO and molecular weight is 159.18. Its IUPAC name is called 2-methyl-1H-indole-3-carbaldehyde. The product should be sealed and stored in cool and dry place. What's more, this chemical is used as Intermediate for API.
Physical properties of 2-Methylindole-3-carboxaldehyde: (1)ACD/LogP: 2.14; (2)ACD/LogD (pH 5.5): 2.14; (3)ACD/LogD (pH 7.4): 2.14; (4)ACD/BCF (pH 5.5): 25.1; (5)ACD/BCF (pH 7.4): 25.1; (6)ACD/KOC (pH 5.5): 349.5; (7)ACD/KOC (pH 7.4): 349.5; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.698; (12)Molar Refractivity: 50.1 cm3; (13)Molar Volume: 129.8 cm3; (14)Surface Tension: 54.9 dyne/cm; (15)Density: 1.226 g/cm3; (16)Flash Point: 169.9 °C; (17)Enthalpy of Vaporization: 58.82 kJ/mol; (18)Boiling Point: 344.3 °C at 760 mmHg; (19)Vapour Pressure: 6.66E-05 mmHg at 25°C.
Uses of 2-Methylindole-3-carboxaldehyde: it can be used to produce 2-methyl-indole-3-carbaldehyde with N,N-dimethyl-formamide. This reaction will need reagent POCl3. The yield is about 96%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C2=CC=CC=C2N1)C=O
(2)InChI: InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3
(3)InChIKey: CYZIVXOEJNAIBS-UHFFFAOYSA-N