CAS No.2305-79-5,4,5,6,7-TETRAHYDROINDAZOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2305-79-5
Name:	4,5,6,7-TETRAHYDROINDAZOLE
Article Data:	22

Formula:	C₇H₁₀N₂
Molecular Weight:	122.17
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-;
EINECS:	218-977-9
Density:	1.133 g/cm³
Melting Point:	83-85 °C(lit.)
Boiling Point:	291.5 °C at 760 mmHg
Flash Point:	139.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	28.68000
LogP:	1.28850

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Specification

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