5,6-Dichloro-4-hydroxypyrimidine - CAS 88982-91-6
Catalog: |
BB039290 |
Product Name: |
5,6-Dichloro-4-hydroxypyrimidine |
CAS: |
88982-91-6 |
Synonyms: |
4,5-dichloro-1H-pyrimidin-6-one; 4,5-dichloro-1H-pyrimidin-6-one |
IUPAC Name: | 4,5-dichloro-1H-pyrimidin-6-one |
Description: | 5,6-Dichloro-4-hydroxypyrimidine (CAS# 88982-91-6) is a useful research chemical. |
Molecular Weight: | 164.98 |
Molecular Formula: | C4H2Cl2N2O |
Canonical SMILES: | C1=NC(=C(C(=O)N1)Cl)Cl |
InChI: | InChI=1S/C4H2Cl2N2O/c5-2-3(6)7-1-8-4(2)9/h1H,(H,7,8,9) |
InChI Key: | KBPOBVJWKRFZIG-UHFFFAOYSA-N |
Boiling Point: | 271 °C at 760 mmHg |
Density: | 1.679 g/cm3 |
MDL: | MFCD09909774 |
LogP: | 1.48900 |
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 |
Publication Number | Title | Priority Date |
EP-2128141-A1 | Process for producing trichloropyrimidine compound | 20070328 |
US-2010160630-A1 | Process for producing trichloropyrimidine compound | 20070328 |
US-8158787-B2 | Process for producing trichloropyrimidine compound | 20070328 |
CA-2428120-A1 | A pyrimidine derivative and a herbicide containing the same | 20001108 |
EP-1333029-A1 | Pyrimidine derivatives and herbicides containing the same | 20001108 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.9544181 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.9544181 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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