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CAS No.: | 145439-15-2 |
---|---|
Name: | 1-(4-Chloro-1H-indazol-1-yl)ethanone |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H7ClN2O |
Molecular Weight: | 194.62 |
Synonyms: | 1H-Indazole,1-acetyl-4-chloro- (9CI); |
Density: | 1.37 g/cm3 |
Boiling Point: | 342.7 °C at 760 mmHg |
Flash Point: | 161.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 45 |
PSA: | 34.89000 |
LogP: | 2.34980 |
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The Ethanone,1-(4-chloro-1H-indazol-1-yl)-, with the CAS registry number 145439-15-2, is also known as 1H-Indazole,1-acetyl-4-chloro- (9CI). It belongs to the product categories of Azoles; Blocks; IndolesOxindoles.This chemical's molecular formula is C9H7ClN2O and molecular weight is 194.6177. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Chloroindazol-1-yl)ethanone. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.
Physical properties about Ethanone,1-(4-chloro-1H-indazol-1-yl)-: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 34.89 Å2; (9)Index of Refraction: 1.642; (10)Molar Refractivity: 51.19 cm3; (11)Molar Volume: 141.6 cm3; (12)Surface Tension: 48.1 dyne/cm; (13)Density: 1.37 g/cm3; (14)Flash Point: 161.1 °C; (15)Enthalpy of Vaporization: 58.65 kJ/mol; (16)Boiling Point: 342.7 °C at 760 mmHg; (17)Vapour Pressure: 7.38E-05 mmHg at 25 °C.
Preparation of Ethanone,1-(4-chloro-1H-indazol-1-yl)-: it can be obtained by Acetic acid anhydride and 4-Chloro-1(2)H-indazole. The reaction requires heating for 1 hour. The yield is 79.1%.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)n1c2cccc(c2cn1)Cl
(2) InChI: InChI=1/C9H7ClN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11-12/h2-5H,1H3
(3) InChIKey: LCYJCQCITQRLLC-UHFFFAOYAF