1H-Indazole,4-chloro-1-methyl- supplier

Name
4-Chloro-1-methyl-1H-indazole
EINECS
CAS No. 162502-53-6
Article Data3
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point
Formula C₈H₇ClN₂
Boiling Point 270.8 °C at 760 mmHg
Molecular Weight 166.61
Flash Point 117.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-1-methyl-1H-indazole;4-Chloro-1-methylindazole;4-chloro-1-methyl-1H-indazole;
PSA 17.82000
LogP 2.22670

1H-Indazole,4-chloro-1-methyl- Specification

The 1H-Indazole,4-chloro-1-methyl-, with the CAS registry number 162502-53-6, has the systmatic name of 4-chloro-1-methyl-1H-indazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₈H₇ClN₂.

The physical properties of 1H-Indazole,4-chloro-1-methyl- are as following: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 48.87; (6)ACD/BCF (pH 7.4): 48.87; (7)ACD/KOC (pH 5.5): 563.14; (8)ACD/KOC (pH 7.4): 563.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 45.73 cm³; (15)Molar Volume: 128.1 cm³; (16)Polarizability: 18.13×10^-24cm³; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 117.6 °C; (20)Enthalpy of Vaporization: 48.85 kJ/mol; (21)Boiling Point: 270.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0111 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc1c2cnn1C
(2)InChI: InChI=1/C8H7ClN2/c1-11-8-4-2-3-7(9)6(8)5-10-11/h2-5H,1H3
(3)InChIKey: KTULONOQBDLTCJ-UHFFFAOYAD

Product Name

4-Chloro-1-methyl-1H-indazole

1H-Indazole,4-chloro-1-methyl- Specification

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