CAS No.823-58-5,3,6-dichloropyridazin-4-amine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	823-58-5
Name:	3,6-dichloropyridazin-4-amine
Article Data:	23

Formula:	C₄H₃Cl₂N₃
Molecular Weight:	163.994
Synonyms:	Pyridazine,4-amino-3,6-dichloro- (6CI,7CI,8CI);3,6-Dichloropyridazin-4-amine;4-Amino-3,6-dichloropyridazine;NSC 170664;
Density:	1.606 g/cm³
Melting Point:	203 °C
Boiling Point:	363 °C at 760 mmHg
Flash Point:	173.3 °C
PSA:	51.80000
LogP:	1.94680

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Specification

The IUPAC name of 3,6-Dichloropyridazin-4-amine is 3,6-dichloropyridazin-4-amine. With the CAS registry number 823-58-5, it is also named as 4-Pyridazinamine,3,6-dichloro-. In addition, its molecular formula is C₄H₃Cl₂N₃ and its molecular weight is 163.99.

The other characteristics of 3,6-Dichloropyridazin-4-amine can be summarized as: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.69; (6)ACD/BCF (pH 7.4): 13.7; (7)ACD/KOC (pH 5.5): 226.47; (8)ACD/KOC (pH 7.4): 226.64; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 36.46 cm³; (15)Molar Volume: 102 cm³; (16)Polarizability: 14.45×10^-24cm³; (17)Surface Tension: 68 dyne/cm; (18)Density: 1.606 g/cm³; (19)Flash Point: 173.3 °C; (20)Enthalpy of Vaporization: 60.9 kJ/mol; (21)Boiling Point: 363 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1nnc(Cl)cc1N
(2)InChI:InChI=1/C4H3Cl2N3/c5-3-1-2(7)4(6)9-8-3/h1H,(H2,7,8)
(3)InChIKey:HODYDVHWWMTUEL-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C4H3Cl2N3/c5-3-1-2(7)4(6)9-8-3/h1H,(H2,7,8)
(5)Std. InChIKey:HODYDVHWWMTUEL-UHFFFAOYSA-N