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CAS No.: | 52562-50-2 |
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Name: | 5-METHYLINDOLE-3-CARBOXALDEHYDE |
Article Data: | 42 |
Molecular Structure: | |
Formula: | C10H9NO |
Molecular Weight: | 159.188 |
Synonyms: | Indole-3-carboxaldehyde,5-methyl- (6CI,7CI);5-Methyl-1H-indole-3-carboxaldehyde;5-Methylindole-3-carboxaldehyde;NSC 88872;5-Methylindole-3-carboxyaldehyde; |
Density: | 1.226 g/cm3 |
Melting Point: | 148-151 °C(lit.) |
Boiling Point: | 348.2 °C at 760 mmHg |
Flash Point: | 172.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 32.86000 |
LogP: | 2.28880 |
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The 1H-Indole-3-carboxaldehyde,5-methyl-, with the CAS registry number 52562-50-2, is also known as 3-Carboxaldehyde, 5-methylindole-. Its molecular formula is C10H9NO and its product categories are Aldehyde; Indoles and Derivatives; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Indoles. The IUPAC name of this chemical is 5-methyl-1H-indole-3-carbaldehyde. However, keep this chemical in the cool and dry place where the room is ventilated.
Other characteristics of the 1H-Indole-3-carboxaldehyde,5-methyl- can be summarised as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22 Å2; (7)Index of Refraction: 1.698; (8)Molar Refractivity: 50.1 cm3; (9)Molar Volume: 129.8 cm3; (10)Polarizability: 19.86 ×10-24 cm3; (11)Surface Tension: 54.9 dyne/cm; (12)Density: 1.226 g/cm3; (13)Flash Point: 172.3 °C; (14)Enthalpy of Vaporization: 59.25 kJ/mol; (15)Boiling Point: 348.2 °C at 760 mmHg; (16)Vapour Pressure: 5.12E-05 mmHg at 25°C.
Uses of the 1H-Indole-3-carboxaldehyde,5-methyl-: It could react with toluene-4-sulfonyl chloride to obtain the 5-methyl-1-(toluene-4-sulfonyl)-1H-indole-3-carbaldehyde. This reaction needs the reagent of NaH, and the solvent of 1,2-dimethoxy-ethane. The yield is 89 %. In addition, this reaction should be taken for 1 hour at the temperature of 60 °C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc2c1cc(ccc1nc2)C
2.InChI: InChI=1/C10H9NO/c1-7-2-3-10-9(4-7)8(6-12)5-11-10/h2-6,11H,1H3
3.InChIKey: ZTNQWTPWKNDRNF-UHFFFAOYAD