Pyridazine,3-chloro-6-(1-pyrrolidinyl)- supplier

Name
3-CHLORO-6-PYRROLIDIN-1-YL-PYRIDAZINE
EINECS
CAS No. 66346-85-8
Article Data7
CAS DataBase
Density 1.289 g/cm³
Solubility
Melting Point 127-131℃
Formula C₈H₁₀ClN₃
Boiling Point 379.3 °C at 760 mmHg
Molecular Weight 183.64
Flash Point 183.2 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Chloro-6-(pyrrolidin-1-yl)pyridazine;6-Chloro-3-pyrrolidinylpyridazine;
PSA 29.02000
LogP 1.79520

Pyridazine,3-chloro-6-(1-pyrrolidinyl)- Specification

The IUPAC name of Pyridazine,3-chloro-6-(1-pyrrolidinyl)- is 3-chloro-6-pyrrolidin-1-ylpyridazine. With the CAS registry number 66346-85-8, it is also named as 6-Chloro-3-pyrrolidinylpyridazine. The product's categories are Blocks; Heterocycles; Pyridines. In addition, its molecular formula is C₈H₁₀ClN₃ and its molecular weight is 183.64.

The other characteristics of Pyridazine,3-chloro-6-(1-pyrrolidinyl)- can be summarized as: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.55; (6)ACD/BCF (pH 7.4): 6.64; (7)ACD/KOC (pH 5.5): 133.21; (8)ACD/KOC (pH 7.4): 134.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 47.53 cm³; (15)Molar Volume: 142.3 cm³; (16)Polarizability: 18.84×10^-24cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.289 g/cm³; (19)Flash Point: 183.2 °C; (20)Enthalpy of Vaporization: 62.73 kJ/mol; (21)Boiling Point: 379.3 °C at 760 mmHg; (22)Vapour Pressure: 5.91E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1nnc(cc1)N2CCCC2
(2)InChI: InChI=1/C8H10ClN3/c9-7-3-4-8(11-10-7)12-5-1-2-6-12/h3-4H,1-2,5-6H2
(3)InChIKey: NYOJAXJOBBCOEF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H10ClN3/c9-7-3-4-8(11-10-7)12-5-1-2-6-12/h3-4H,1-2,5-6H2
(5)Std. InChIKey: NYOJAXJOBBCOEF-UHFFFAOYSA-N

Product Name

3-CHLORO-6-PYRROLIDIN-1-YL-PYRIDAZINE

Pyridazine,3-chloro-6-(1-pyrrolidinyl)- Specification

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