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39906-04-2

Basic Information
CAS No.: 39906-04-2
Name: 5-Pyrimidinamine,4,6-dichloro-2-methyl-
Molecular Structure:
Molecular Structure of 39906-04-2 (5-Pyrimidinamine,4,6-dichloro-2-methyl-)
Formula: C5H5Cl2N3
Molecular Weight: 178.0193
Synonyms: Pyrimidine,5-amino-4,6-dichloro-2-methyl- (6CI);2-Methyl-4,6-dichloro-5-aminopyrimidine;4,6-Dichloro-2-methylpyrimidin-5-amine;
EINECS: 419-110-9
Density: 1.504 g/cm3
Melting Point: 70-73 °C
Boiling Point: 257.7 °C at 760 mmHg
Flash Point: 109.6 °C
Solubility:
Appearance: WHITE TO TAN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 51.80000
LogP: 2.25520
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Specification

The 5-Amino-4,6-dichloro-2-methylpyrimidine, with the CAS registry number 39906-04-2, is also known as 2-Methyl-4,6-dichloro-5-aminopyrimidine. It belongs to the product categories of Pyridines, Pyrimidines, Purines and Pteredines; Pyrimidine; (intermediate of moxonidine hcl); (intermediate of moxonidine). Its EINECS registry number is 419-110-9. This chemical's molecular formula is C5H5Cl2N3 and molecular weight is 178.02. Its systematic name is called 4,6-dichloro-2-methylpyrimidin-5-amine. The product should be sealed and stored in cool and dry place. It  is used as an intermediate for moxonidine which is a kind of antihypertensive drugs.

Physical properties of 5-Amino-4,6-dichloro-2-methylpyrimidine: (1)ACD/LogP: 0.63; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.614; (6)Molar Refractivity: 41.28 cm3; (7)Molar Volume: 118.3 cm3; (8)Surface Tension: 61 dyne/cm; (9)Density: 1.504 g/cm3; (10)Flash Point: 109.6 °C; (11)Enthalpy of Vaporization: 49.53 kJ/mol; (12)Boiling Point: 257.7 °C at 760 mmHg; (13)Vapour Pressure: 0.0143 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,6-dichloro-2-methyl-5-nitro-pyrimidine. This reaction will need reagent aqueous Fe(OH)2.

Uses of 5-Amino-4,6-dichloro-2-methylpyrimidine: it can be used to produce 4-chloro-6-methoxy-2-methyl-pyrimidin-5-ylamine at ambient temperature. This reaction will need reagent NaOMe with reaction time of 12 hours. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc(Cl)c1N)C
(2)InChI: InChI=1/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H3
(3)InChIKey: FKRXXAMAHOGYNT-UHFFFAOYAU