2-Chloro-5-hydroxypyrimidine - CAS 4983-28-2
Catalog: |
BB026835 |
Product Name: |
2-Chloro-5-hydroxypyrimidine |
CAS: |
4983-28-2 |
Synonyms: |
2-chloro-5-pyrimidinol; 2-chloropyrimidin-5-ol |
IUPAC Name: | 2-chloropyrimidin-5-ol |
Description: | 2-Chloro-5-hydroxypyrimidine (CAS# 4983-28-2) is an intermediate used to synthesize tandospirone derivatives with anxiolytic activities. |
Molecular Weight: | 130.53 |
Molecular Formula: | C4H3ClN2O |
Canonical SMILES: | C1=C(C=NC(=N1)Cl)O |
InChI: | InChI=1S/C4H3ClN2O/c5-4-6-1-3(8)2-7-4/h1-2,8H |
InChI Key: | BOGPIHXNWPTGNH-UHFFFAOYSA-N |
Boiling Point: | 328.1 °C at 760 mmHg |
Density: | 1.513 g/cm3 |
MDL: | MFCD09743796 |
LogP: | 0.83560 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 72.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.9933904 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.9933904 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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