Disodium 3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-8-hydroxynaphthalene-1,5-disulphonate

Base Information

• Chemical Name: Disodium 3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-8-hydroxynaphthalene-1,5-disulphonate
• CAS No.: 84145-63-1
• Molecular Formula: C14H8 Cl F2 N3 O7 S2 . 2 Na
• Molecular Weight: 511.7726864
• European Community (EC) Number: 282-291-6
• DSSTox Substance ID: DTXSID30233066
• Mol file: 84145-63-1.mol

Synonyms:84145-63-1;Disodium 3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-8-hydroxynaphthalene-1,5-disulphonate;EINECS 282-291-6;Disodium 3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-8-hydroxynaphthalene-1,5-disulfonate;Disodium 3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-8-hydroxynaphthalene-1,5-disulphonate;C14H8ClF2N3O7S2.2Na;DTXSID30233066;C14-H8-Cl-F2-N3-O7-S2.2Na

Chemical Property of Disodium 3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-8-hydroxynaphthalene-1,5-disulphonate

Chemical Property:

• PSA: 192.43000
• LogP: 4.18310
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 510.9099145
• Heavy Atom Count: 31
• Complexity: 782

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=C(C=C(C2=C1O)S(=O)(=O)[O-])NC3=C(C(=NC(=N3)F)F)Cl)S(=O)(=O)[O-].[Na+].[Na+]