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4-Amino-2,6-dichloropyrimidine

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Name

4-Amino-2,6-dichloropyrimidine

EINECS 233-369-3
CAS No. 10132-07-7 Density 1.606 g/cm3
PSA 51.80000 LogP 1.94680
Solubility Slightly soluble in water. Melting Point 258-267 °C
Formula C4H3Cl2N3 Boiling Point 323.5 °C at 760 mmHg
Molecular Weight 163.994 Flash Point 149.5 °C
Transport Information N/A Appearance cream to light brown crystalline powder
Safety 26-36/37-36 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 10132-07-7 (4-Amino-2,6-dichloropyrimidine) Hazard Symbols HarmfulXn; IrritantXi
Synonyms

Pyrimidine,4-amino-2,6-dichloro- (6CI,7CI,8CI);2,4-Dichloro-6-aminopyrimidine;2,6-Dichloro-4-aminopyrimidine;2,6-Dichloro-4-pyrimidinamine;2,6-Dichloropyrimidin-4-ylamine;6-Amino-2,4-dichloropyrimidine;NSC 51667;

Article Data 14

4-Amino-2,6-dichloropyrimidine Specification

The CAS registry number of 4-Amino-2,6-dichloropyrimidine is 10132-07-7. With the EINECS registry number 233-369-3, its IUPAC name is 2,6-dichloropyrimidin-4-amine. In addition, the molecular formula is C4H3Cl2N3 and the molecular weight is 163.99. What's more, it is a white powder and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 0.16; (2)ACD/LogD (pH 5.5): 0.16; (3)ACD/LogD (pH 7.4): 0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.95; (7)ACD/KOC (pH 7.4): 28.95; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 29.02 Å2; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 36.46 cm3; (13)Molar Volume: 102 cm3; (14)Polarizability: 14.45 ×10-24cm3; (15)Surface Tension: 68 dyne/cm; (16)Density: 1.606 g/cm3; (17)Flash Point: 149.5 °C; (18)Enthalpy of Vaporization: 56.54 kJ/mol; (19)Boiling Point: 323.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000261 mmHg at 25°C.

Uses of 4-Amino-2,6-dichloropyrimidine: it can react with 2,6-dichlorobenzoylisocyanate to get N-(2,6-Dichlorbenzoyl)-N'-(2,6-dichlorpyrimidin-4-yl)harnstoff. This reaction will need solvent toluene. The reaction time is 6 hours at reaction temperature of 60 °C. The yield is about 52%.

4-Amino-2,6-dichloropyrimidine can react with 2,6-dichlorobenzoylisocyanate to get N-(2,6-Dichlorbenzoyl)-N'-(2,6-dichlorpyrimidin-4-yl)harnstoff.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. 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 and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)nc(N)c1
(2)Std. InChI: InChI=1S/C4H3Cl2N3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9)
(3)Std. InChIKey: UPVBKNZVOJNQKE-UHFFFAOYSA-N

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