Product Name

  • Name

    4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine

  • EINECS
  • CAS No. 876343-10-1
  • Article Data5
  • CAS DataBase
  • Density 2.284 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H3ClIN3
  • Boiling Point
  • Molecular Weight 279.467
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 876343-10-1 (4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine)
  • Hazard Symbols
  • Synonyms 1H-Pyrrolo[2,3-d]pyrimidine,4-chloro-6-iodo- (9CI);4-Chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine;
  • PSA 41.57000
  • LogP 2.21590

4-Chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine Specification

The CAS register number of 4-Chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine is 876343-10-1. It also can be called as 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-6-iodo- and the systematic name about this chemical is 4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine. The molecular formula about this chemical is C6H3ClIN3 and molecular weight is 279.47. It belongs to the Chiral Chemicals.

Physical properties about 4-Chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine are: (1)ACD/LogP: 1.41; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): 1.41; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)Polar Surface Area: 41.57Å2; (7)Index of Refraction: 1.804; (8)Molar Refractivity: 52.51 cm3; (9)Molar Volume: 122.3 cm3; (10)Polarizability: 20.81x10-24cm3; (11)Surface Tension: 84 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c([nH]c1I)ncnc2Cl
(2)InChI: InChI=1/C6H3ClIN3/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H,(H,9,10,11)
(3)InChIKey: DXPVKZYVQANEDW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H3ClIN3/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H,(H,9,10,11)
(5)Std. InChIKey: DXPVKZYVQANEDW-UHFFFAOYSA-N

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