Ethanone,1-(4-chloro-1H-indazol-1-yl)- supplier

Name
1-(4-Chloro-1H-indazol-1-yl)ethanone
EINECS
CAS No. 145439-15-2
Article Data4
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₉H₇ClN₂O
Boiling Point 342.7 °C at 760 mmHg
Molecular Weight 194.62
Flash Point 161.1 °C
Transport Information
Appearance
Safety 45
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Indazole,1-acetyl-4-chloro- (9CI);
PSA 34.89000
LogP 2.34980

Ethanone,1-(4-chloro-1H-indazol-1-yl)- Specification

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%.

Ethanone,1-(4-chloro-1H-indazol-1-yl)- can be obtained by Acetic acid anhydride and 4-Chloro-1(2)H-indazole

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

Product Name

1-(4-Chloro-1H-indazol-1-yl)ethanone

Ethanone,1-(4-chloro-1H-indazol-1-yl)- Specification

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