5H-Indeno[1,2-c]pyridazine,3-chloro- supplier

Name
3-CHLORO-5H-INDENO[1,2-C]PYRIDAZINE
EINECS
CAS No. 69581-17-5
Density 1.381 g/cm³
Solubility
Melting Point
Formula C₁₁H₇ClN₂
Boiling Point 428.6 °C at 760 mmHg
Molecular Weight 202.643
Flash Point 245.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms NSC 329952;3-Chloro-5H-indeno[1,2-c]pyridazine;5H-indeno[1,2-c]pyridazine, 3-chloro-;3-Chloro-5H-indeno(1,2-c)pyridazine;3-Cloro-5H-indeno(1,2-c)piridazina;3-Cloro-5H-indeno(1,2-c)piridazina [Italian];5H-Indeno(1,2-c)pyridazine,3-chloro-;
PSA 25.78000
LogP 2.70120

5H-Indeno[1,2-c]pyridazine,3-chloro- Specification

The CAS registry number of 5H-Indeno[1,2-c]pyridazine,3-chloro- is 69581-17-5. The IUPAC name is 3-chloro-5H-indeno[1,2-c]pyridazine. In addition, the formula is C₁₁H₇ClN₂ and the molecular weight is 202.6397. It should be stored in a cool envieonment.

Physical properties about this chemical are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.11; (6)ACD/BCF (pH 7.4): 21.11; (7)ACD/KOC (pH 5.5): 308.78; (8)ACD/KOC (pH 7.4): 308.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 54.87 cm³; (15)Molar Volume: 146.7 cm³; (16)Polarizability: 21.75 ×10^-24cm³; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.381 g/cm³; (19)Flash Point: 245.6 °C; (20)Enthalpy of Vaporization: 65.73 kJ/mol; (21)Boiling Point: 428.6 °C at 760 mmHg; (22)Vapour Pressure: 3.74E-07 mmHg at 25°C.

Uses of 5H-Indeno[1,2-c]pyridazine,3-chloro-: it can be used to get 3-cloro-5-chetoindeno[1,2-c]piridazina and 5-chetoindeno[1,2-c]piridazin-3-one. The reaction needs reagent CrO₃ and solvent acetic acid. The reaction time is 1.5 hours and the yield is about 48.68% with ambient temperature.

5H-Indeno[1,2-c]pyridazine,3-chloro- can be used to get 3-cloro-5-chetoindeno[1,2-c]piridazina and 5-chetoindeno[1,2-c]piridazin-3-one.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3nnc2c1ccccc1Cc2c3
(2)InChI: InChI=1/C11H7ClN2/c12-10-6-8-5-7-3-1-2-4-9(7)11(8)14-13-10/h1-4,6H,5H2
(3)InChIKey: VJTAUXIOCSMZMH-UHFFFAOYAL

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1gm/kg (1000mg/kg)		Farmaco, Edizione Scientifica. Vol. 34, Pg. 72, 1979.

Product Name

3-CHLORO-5H-INDENO[1,2-C]PYRIDAZINE

5H-Indeno[1,2-c]pyridazine,3-chloro- Specification

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