Product Name

  • Name

    2-Chloro-6-methylpyrimidine-4,5-diamine

  • EINECS
  • CAS No. 63211-98-3
  • Article Data3
  • CAS DataBase
  • Density 1.459 g/cm3
  • Solubility
  • Melting Point 249 °C
  • Formula C5H7ClN4
  • Boiling Point 377.1 °C at 760 mmHg
  • Molecular Weight 158.59
  • Flash Point 181.8 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes R20/21/22;R36/37/38   
  • Molecular Structure Molecular Structure of 63211-98-3 (2-Chloro-6-methylpyrimidine-4,5-diamine)
  • Hazard Symbols IrritantXi
  • Synonyms 2-chloro-6-methyl-pyrimidine-4,5-diamine;2-Chloro-4,5-diamino-6-methylpyrimidine 95+%;2-Chloro-4,5-diamino-6-methylpyrimidine;
  • PSA 77.82000
  • LogP 1.76520

2-Chloro-6-methylpyrimidine-4,5-diamine Specification

The 2-Chloro-6-methylpyrimidine-4,5-diamine with cas registry number of 63211-98-3, has the systematic name of 2-chloro-6-methylpyrimidine-4,5-diamine. And its IUPAC name is the same one. Besides this, it is also named 2-Chloro-4,5-diamino-6-methylpyrimidine 95+%.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11.452; (5)ACD/KOC (pH 7.4): 11.755; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 77.82 Å2; (10)Index of Refraction: 1.671; (11)Molar Refractivity: 40.628 cm3; (12)Molar Volume: 108.667 cm3; (13)Polarizability: 16.106×10-24cm3; (14)Surface Tension: 75.905 dyne/cm; (15)Enthalpy of Vaporization: 62.477 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Chloro-6-methylpyrimidine-4,5-diamine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, this chemical is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure: 
(1)SMILES: Cc1c(c(nc(n1)Cl)N)N;
(2)InChI: InChI=1/C5H7ClN4/c1-2-3(7)4(8)10-5(6)9-2/h7H2,1H3,(H2,8,9,10);
(3)InChIKey: KSGKEVCHVYUUDN-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C5H7ClN4/c1-2-3(7)4(8)10-5(6)9-2/h7H2,1H3,(H2,8,9,10);
(5)Std. InChIKey: KSGKEVCHVYUUDN-UHFFFAOYSA-N

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