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Name |
1H-Indazole,4,5,6,7-tetrahydro- |
EINECS | 218-977-9 |
CAS No. | 2305-79-5 | Density | 1.133 g/cm3 |
PSA | 28.68000 | LogP | 1.28850 |
Solubility | N/A | Melting Point |
83-85 °C(lit.) |
Formula | C7H10N2 | Boiling Point | 291.5 °C at 760 mmHg |
Molecular Weight | 122.17 | Flash Point | 139.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4,5,6,7-Tetrahydro-1H-indazole;4,5,6,7-Tetrahydroindazole;NSC 195333;4,5,6,7-tetrahydro-1H-indazole;2H-indazole, 4,5,6,7-tetrahydro-; |
Article Data | 22 |
The 1H-Indazole,4,5,6,7-tetrahydro-, with the CAS registry number 2305-79-5 and EINECS registry number 218-977-9, has the systmatic name of 4,5,6,7-tetrahydro-1H-indazole. It belongs to the following product categories: Building Blocks; Heterocyclic Building Blocks; Pyrazoles. And the molecular formula of this chemical is C7H10N2.
The physical properties of 1H-Indazole,4,5,6,7-tetrahydro- are as following: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 18.75; (6)ACD/BCF (pH 7.4): 19.59; (7)ACD/KOC (pH 5.5): 280.22; (8)ACD/KOC (pH 7.4): 292.63; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 35.56 cm3; (15)Molar Volume: 107.8 cm3; (16)Polarizability: 14.09×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 139.2 °C; (20)Enthalpy of Vaporization: 50.96 kJ/mol; (21)Boiling Point: 291.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00339 mmHg at 25°C.
Preparation of 1H-Indazole,4,5,6,7-tetrahydro-: This chemical can be prepared by cyclohexylidene-propyl-amine and benzotriazol-1-ylmethylene-dimethyl-ammonium; chloride. The reaction will need hydrazine hydrate, and the solvent tetrahydrofuran. And the yield is about 31%.
Uses of 1H-Indazole,4,5,6,7-tetrahydro-: It can react with 2-chloro-4,5-dihydro-1H-imidazole to produce 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5,6,7-tetrahydro-2H-indazole; hydrochloride. This reaction will need reagent carbon disulfide, and the solvent CH2Cl2. And the yield is about 37%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cc2c(n1)CCCC2
(2)InChI: InChI=1/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H2,(H,8,9)
(3)InChIKey: GDSQTWDUCDSZEY-UHFFFAOYAK