2-Amino-5-chloropyrimidine-4-carboxylic acid

Base Information

• Chemical Name: 2-Amino-5-chloropyrimidine-4-carboxylic acid
• CAS No.: 45867-11-6
• Molecular Formula: C5H4ClN3O2
• Molecular Weight: 173.56
• Hs Code.: 2933599090
• European Community (EC) Number: 256-248-7
• NSC Number: 122006
• DSSTox Substance ID: DTXSID7068477
• Nikkaji Number: J422.492B
• Wikidata: Q81995217
• Mol file: 45867-11-6.mol

Synonyms:2-Amino-5-chloropyrimidine-4-carboxylic acid;45867-11-6;4-Pyrimidinecarboxylic acid, 2-amino-5-chloro-;2-Amino-5-chloro-4-pyrimidinecarboxylic acid;EINECS 256-248-7;NSC 122006;2-AMINO-5-CHLOROPYRIMIDINE-4-CARBOXYLICACID;NSC122006;SCHEMBL1539917;DTXSID7068477;VBA86711;MFCD00023260;AKOS006274805;NSC-122006;AS-76810;CS-0085443;FT-0600263

Chemical Property of 2-Amino-5-chloropyrimidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.04E-10mmHg at 25°C
• Melting Point: 0ºC
• Refractive Index: 1.673
• Boiling Point: 478 °C at 760 mmHg
• PKA: -0.27±0.25(Predicted)
• Flash Point: 242.9 °C
• PSA: 89.10000
• Density: 1.69 g/cm³
• LogP: 0.99160
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 172.9992041
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-5-chloropyrimidine-4-carboxylicacidhydrochloride >95% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=NC(=N1)N)C(=O)O)Cl