Methyl 6-nitro-1H-indole-2-carboxylate supplier

Name
Methyl 6-nitro-1H-indole-2-carboxylate
EINECS
CAS No. 136818-66-1
Article Data10
CAS DataBase
Density 1.452 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂O₄
Boiling Point 424.2 °C at 760 mmHg
Molecular Weight 220.18
Flash Point 210.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Nitro-1H-indole-2-carboxylic acid methyl ester;
PSA 87.91000
LogP 2.38590

Methyl 6-nitro-1H-indole-2-carboxylate Specification

This chemical is an organic compound with the formula C₁₀H₈N₂O₄. Ths systematic name of this chemical is methyl 6-nitro-1H-indole-2-carboxylate. With the CAS registry number is 136818-66-1, it is also named as 6-Nitro-1H-indole-2-carboxylic acid methyl ester. In addition, the molecular weight is 220.18.

The other characteristics of Methyl 6-nitro-1H-indole-2-carboxylate can be summarized as: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 77.05 Å²; (7)Index of Refraction: 1.673; (8)Molar Refractivity: 56.84 cm³; (9)Molar Volume: 151.6 cm³; (10)Polarizability: 22.53×10^-24 cm³; (11)Surface Tension: 65.3 dyne/cm; (12)Density: 1.452 g/cm³; (13)Flash Point: 210.4 °C; (14)Enthalpy of Vaporization: 67.87 kJ/mol; (15)Boiling Point: 424.2 °C at 760 mmHg; (16)Vapour Pressure: 2.1E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:[O-][N+](=O)c1ccc2c(c1)nc(c2)C(=O)OC
2. InChI:InChI=1/C10H8N2O4/c1-16-10(13)9-4-6-2-3-7(12(14)15)5-8(6)11-9/h2-5,11H,1H3
3. InChIKey:XYESWWUBKWDGNI-UHFFFAOYAX
4. Std. InChI:InChI=1S/C10H8N2O4/c1-16-10(13)9-4-6-2-3-7(12(14)15)5-8(6)11-9/h2-5,11H,1H3
5. Std. InChIKey:XYESWWUBKWDGNI-UHFFFAOYSA-N

Product Name

Methyl 6-nitro-1H-indole-2-carboxylate

Methyl 6-nitro-1H-indole-2-carboxylate Specification

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