3H-Indazol-3-one,6-chloro-1,2-dihydro- supplier

Name
6-CHLORO-3-HYDROXY (1H)INDAZOLE
EINECS
CAS No. 7364-29-6
Article Data7
CAS DataBase
Density 1.598 g/cm³
Solubility
Melting Point
Formula C₇H₅ClN₂O
Boiling Point 399.1 °C at 760 mmHg
Molecular Weight 168.58
Flash Point 195.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Indazolinone,6-chloro- (7CI,8CI);6-Chloro-1H-indazol-3-ol;6-Chloro-3-indazolinone;1H-indazol-3-ol, 6-chloro-;
PSA 48.91000
LogP 1.92190

3H-Indazol-3-one,6-chloro-1,2-dihydro- Specification

The 3H-Indazol-3-one,6-chloro-1,2-dihydro-, with the CAS registry number 7364-29-6, has the systematic name of 6-chloro-1H-indazol-3-ol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₅ClN₂O.

The characteristics of 3H-Indazol-3-one,6-chloro-1,2-dihydro- are as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 35.86; (6)ACD/BCF (pH 7.4): 33.35; (7)ACD/KOC (pH 5.5): 451.07; (8)ACD/KOC (pH 7.4): 419.57; (9)#H bond acceptors: 3; (10)H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 48.91 Å²; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 43.39 cm³; (15)Molar Volume: 105.4 cm³; (16)Polarizability: 17.2×10^-24cm³; (17)Surface Tension: 80.2 dyne/cm; (18)Density: 1.598 g/cm³; (19)Flash Point: 195.2 °C; (20)Enthalpy of Vaporization: 67.51 kJ/mol; (21)Boiling Point: 399.1 °C at 760 mmHg; (22)Vapour Pressure: 6.1E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc2c(c1)nnc2O
(2)InChI: InChI=1/C7H5ClN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
(3)InChIKey: HYUKOSIGBXAOSL-UHFFFAOYAX

Product Name

6-CHLORO-3-HYDROXY (1H)INDAZOLE

3H-Indazol-3-one,6-chloro-1,2-dihydro- Specification

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