1H-Indazole-4-carboxylic acid supplier

Name
1H-INDAZOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 677306-38-6
Article Data6
CAS DataBase
Density 1.507g/cm³
Solubility
Melting Point ca 280℃
Formula C₈H₆N₂O₂
Boiling Point 443.749 °C at 760 mmHg
Molecular Weight 162.148
Flash Point 222.172 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Indazole-4-carboxylicacid;
PSA 65.98000
LogP 1.26110

1H-Indazole-4-carboxylic acid Specification

The 1H-Indazole-4-carboxylic acid with cas registry number of 677306-38-6, belongs to the following product categories: (1)pharmacetical; (2)Building Blocks; (3)Indazole. Its systematic name and IUPAC name are the same, which is 1H-indazole-4-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å²; (11)Index of Refraction: 1.743; (12)Molar Refractivity: 43.55 cm³; (13)Molar Volume: 107.625 cm³; (14)Polarizability: 17.265×10^-24cm³; (15)Surface Tension: 85.206 dyne/cm; (16)Enthalpy of Vaporization: 73.926 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H-Indazole-4-carboxylic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:OC(=O)c1cccc2nncc12;
(2)InChI:InChI=1/C8H6N2O2/c11-8(12)5-2-1-3-7-6(5)4-9-10-7/h1-4H,(H,9,10)(H,11,12);
(3)InChIKey:KGKZHHIUOZGUNP-UHFFFAOYAP;
(4)Std. InChI:InChI=1S/C8H6N2O2/c11-8(12)5-2-1-3-7-6(5)4-9-10-7/h1-4H,(H,9,10)(H,11,12);
(5)Std. InChIKey:KGKZHHIUOZGUNP-UHFFFAOYSA-N.

Product Name

1H-INDAZOLE-4-CARBOXYLIC ACID

1H-Indazole-4-carboxylic acid Specification

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