1H-Indole-3-carboxaldehyde, 4-methyl- supplier

Name
4-METHYLINDOLE-3-CARBOXALDEHYDE
EINECS
CAS No. 4771-48-6
Article Data1
CAS DataBase
Density 1.226 g/cm³
Solubility
Melting Point 192-194℃
Formula C₁₀H₉NO
Boiling Point 347 °C at 760 mmHg
Molecular Weight 159.188
Flash Point 171.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-3-carboxaldehyde,4-methyl- (7CI,8CI);4-Methyl-1H-indole-3-carboxaldehyde;4-Methyl-3-indolecarboxaldehyde;3-Formyl-4-methylindole;
PSA 32.86000
LogP 2.28880

1H-Indole-3-carboxaldehyde, 4-methyl- Specification

This chemical is called 1H-Indole-3-carboxaldehyde, 4-methyl-, and it can also be named as 4-Methyl-1H-indole-3-carbaldehyde. With the molecular formula of C₁₀H₉NO, its molecular weight is 159.18. The CAS registry number of this chemical is 4771-48-6. Additionally, its product category is Aldehyde.

Other characteristics of the 1H-Indole-3-carboxaldehyde, 4-methyl- can be summarised as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 25.1; (6)ACD/BCF (pH 7.4): 25.1; (7)ACD/KOC (pH 5.5): 349.5; (8)ACD/KOC (pH 7.4): 349.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 50.1 cm³; (15)Molar Volume: 129.8 cm³; (16)Polarizability: 19.86×10^-24cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.226 g/cm³; (19)Flash Point: 171.6 °C; (20)Enthalpy of Vaporization: 59.12 kJ/mol; (21)Boiling Point: 347 °C at 760 mmHg; (22)Vapour Pressure: 5.54E-05 mmHg at 25°C.

Uses of this chemical: The 1H-Indole-3-carboxaldehyde, 4-methyl- could be obtained by the reactant of (3-formylindol-4-yl)thallium bis(trifluoroacetate). This reaction needs the reagent of tetramethyltin, the catalyst of palladium acetate, and the solvent of dimethylformamide. The yield is 48 %. The other condition is heating.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc2c1c(cccc1nc2)C
2.InChI: InChI=1/C10H9NO/c1-7-3-2-4-9-10(7)8(6-12)5-11-9/h2-6,11H,1H3
3.InChIKey: OXMKZTMGJSTKPG-UHFFFAOYAD

Product Name

4-METHYLINDOLE-3-CARBOXALDEHYDE

1H-Indole-3-carboxaldehyde, 4-methyl- Specification

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