6-Chloro-1,3-dimethyluracil - CAS 6972-27-6
Catalog: |
BB033942 |
Product Name: |
6-Chloro-1,3-dimethyluracil |
CAS: |
6972-27-6 |
Synonyms: |
6-chloro-1,3-dimethylpyrimidine-2,4-dione; 6-chloro-1,3-dimethylpyrimidine-2,4-dione |
IUPAC Name: | 6-chloro-1,3-dimethylpyrimidine-2,4-dione |
Description: | 6-Chloro-1,3-dimethyluracil (CAS# 6972-27-6) is a nucleobase constitute of nucleic acid. An intermediate for the synthesis of substituted uracils and derivatives. |
Molecular Weight: | 174.58 |
Molecular Formula: | C6H7ClN2O2 |
Canonical SMILES: | CN1C(=CC(=O)N(C1=O)C)Cl |
InChI: | InChI=1S/C6H7ClN2O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,1-2H3 |
InChI Key: | VATQPUHLFQHDBD-UHFFFAOYSA-N |
Boiling Point: | 224.6 °C at 760 mmHg |
Density: | 1.43 g/cm3 |
MDL: | MFCD00038066 |
LogP: | -0.26260 |
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, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
16043077 | 20050901 | Electronic structure and biological activity of nucleobases | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
11594050 | 20010901 | Electrocyclic rearrangement of pentamethylcyclooctapyrimidine-2,4-diones: reaction pathway into a 9,11-diazapentacyclo-[6.4.0.0(1,3).0(2,5).0(4,8)]dodecane system and a 9,11-diazapentacyclo [6.4.0.0(1,3).0(2,6).0(4,8)]dodecane system | Photochemistry and photobiology |
11310662 | 20010401 | Acid-catalyzed photoreaction of 6-chloro-1,3-dimethyluracil and mesitylene: formation of photocycloadducts and their characterization | Chemical & pharmaceutical bulletin |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0196052 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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