1H-Indazole-4-carboxylicacid, methyl ester supplier

Name
4-(1H)INDAZOLE CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 192945-49-6
Article Data3
CAS DataBase
Density 1.324 g/cm³
Solubility
Melting Point 133-138°C
Formula C₉H₈N₂O₂
Boiling Point 345.2 ºC at 760 mmHg
Molecular Weight 176.175
Flash Point 162.6 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl1H-indazole-4-carboxylate;Methyl indazole-4-carboxylate;
PSA 54.98000
LogP 1.34950

1H-Indazole-4-carboxylicacid, methyl ester Specification

The 1H-Indazole-4-carboxylicacid, methyl ester, with the CAS registry number 192945-49-6, is also known as Methyl indazole-4-carboxylate. It belongs to the product category of Indazoles. This chemical's molecular formula is C₉H₈N₂O₂ and molecular weight is 176.17. What's more, its systematic name and its IUPAC name are the same which is called Methyl 1H-indazole-4-carboxylate.

Physical properties about this chemical are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.68; (6) ACD/BCF (pH 7.4): 13.68; (7)ACD/KOC (pH 5.5): 226.43; (8)ACD/KOC (pH 7.4): 226.43; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 48.39 cm³; (15)Molar Volume: 132.9 cm³; (16)Surface Tension: 59.7 dyne/cm; (17)Density: 1.324 g/cm³; (18)Flash Point: 162.6 °C; (19)Enthalpy of Vaporization: 58.93 kJ/mol; (20)Boiling Point: 345.2 °C at 760 mmHg; (21) Vapour Pressure: 6.24E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cccc2c1cnn2
(2) InChI: InChI=1/C9H8N2O2/c1-13-9(12)6-3-2-4-8-7(6)5-10-11-8/h2-5H,1H3,(H,10,11)
(3) InChIKey: MEXWKIOTIDFYPN-UHFFFAOYAB

Product Name

4-(1H)INDAZOLE CARBOXYLIC ACID METHYL ESTER

1H-Indazole-4-carboxylicacid, methyl ester Specification

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