1H-Indazole-3-carboxylicacid, 6-cyano- supplier

Name
6-CYANO-1H-INDAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 194163-31-0
Article Data3
CAS DataBase
Density 1.592 g/cm³
Solubility
Melting Point
Formula C₉H₅N₃O₂
Boiling Point 535.031 °C at 760 mmHg
Molecular Weight 187.158
Flash Point 277.377 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Cyano-1H-indazole-3-carboxylicacid;6-cyano-1H-indazole-3-carboxylic acid;1H-indazole-3-carboxylic acid, 6-cyano-;
PSA 89.77000
LogP 1.13278

1H-Indazole-3-carboxylicacid, 6-cyano- Specification

The 1H-Indazole-3-carboxylicacid, 6-cyano-, with the CAS registry number 194163-31-0, has the systmatic name of 6-cyano-1H-indazole-3-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₉H₅N₃O₂.

The physical properties of 1H-Indazole-3-carboxylicacid, 6-cyano- are as following: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 89.77 Å²; (13)Index of Refraction: 1.729; (14)Molar Refractivity: 46.877 cm³; (15)Molar Volume: 117.553 cm³; (16)Polarizability: 18.583×10^-24cm³; (17)Surface Tension: 103.89 dyne/cm; (18)Density: 1.592 g/cm³; (19)Flash Point: 277.377 °C; (20)Enthalpy of Vaporization: 85.402 kJ/mol; (21)Boiling Point: 535.031 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 1H-Indazole-3-carboxylicacid, 6-cyano-: This chemical can be prepared by 3-formyl-6-cyanoindazole. The reaction will need reagents NaClO₂ and NaH₂PO₄.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc2c(c1)nnc2C(=O)O
(2)InChI: InChI=1/C9H5N3O2/c10-4-5-1-2-6-7(3-5)11-12-8(6)9(13)14/h1-3H,(H,11,12)(H,13,14)
(3)InChIKey: VVBNYLSPDQSTIM-UHFFFAOYAR

Product Name

6-CYANO-1H-INDAZOLE-3-CARBOXYLIC ACID

1H-Indazole-3-carboxylicacid, 6-cyano- Specification

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