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CAS No.: | 102735-90-0 |
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Name: | (5-Chloro-1H-indazol-3-yl)-methanol ,97% |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H7ClN2O |
Molecular Weight: | 182.607 |
Synonyms: | 1H-Indazole-3-methanol, 5-chloro-; |
Density: | 1.511 g/cm3 |
Boiling Point: | 412.438 °C at 760 mmHg |
Flash Point: | 203.235 °C |
Risk Codes: | 20/21/22 |
Safety: | 24/25-36/37 |
PSA: | 48.91000 |
LogP: | 1.70860 |
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The systematic name of this product is (5-Chloro-1H-indazol-3-yl)methanol, and its CAS registry number is 102735-90-0. This chemical's molecular formula is C8H7ClN2O and molecular weight is 182.607. It is also named as 1H-Indazole-3-methanol, 5-chloro-.
Physical properties about (5-Chloro-1H-indazol-3-yl)methanol are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 111; (8)ACD/KOC (pH 7.4): 111; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.91 Å2; (13)Index of Refraction: 1.725; (14)Molar Refractivity: 47.966 cm3; (15)Molar Volume: 120.863 cm3; (16)Polarizability: 19.015×10-24 cm3; (17)Surface Tension: 73.819 dyne/cm; (18)Density: 1.511 g/cm3; (19)Flash Point: 203.235 °C; (20)Enthalpy of Vaporization: 70.123 kJ/mol; (21)Boiling Point: 412.438 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of (5-Chloro-1H-indazol-3-yl)methanol: this chemical is prepared by 5-Chloro-1(2)H-indazole-3-carboxylic acid by heating. This reaction needs reagent Lithium aluminum hydride and solvent Tetrahydrofuran. The reaction time is 4 hours. The yield is about 83 %.
Uses of (5-Chloro-1H-indazol-3-yl)methanol: it is used to produce other chemicals. For example, it is used to produce 5-Chloroindazole-3-carboxaldehyde by heating. The reaction needs reagent Pyridinium chlorochromate and solvent CH2Cl2. The reaction time is 1 hour. The yield is about 66 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2c(cc1)nnc2CO
(2) InChI: InChI=1/C8H7ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4H2,(H,10,11)
(3) InChIKey: YBUIOIPQDAOQHA-UHFFFAOYAF