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3,6-Dichloropyridazin-4-amine

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Name

3,6-Dichloropyridazin-4-amine

EINECS N/A
CAS No. 823-58-5 Density 1.606 g/cm3
PSA 51.80000 LogP 1.94680
Solubility N/A Melting Point 203 °C
Formula C4H3Cl2N3 Boiling Point 363 °C at 760 mmHg
Molecular Weight 163.994 Flash Point 173.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 823-58-5 (3,6-dichloropyridazin-4-amine) Hazard Symbols N/A
Synonyms

Pyridazine,4-amino-3,6-dichloro- (6CI,7CI,8CI);3,6-Dichloropyridazin-4-amine;4-Amino-3,6-dichloropyridazine;NSC 170664;

Article Data 23

3,6-Dichloropyridazin-4-amine 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

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