2,4-Dichloropyrimidine - CAS 3934-20-1
Catalog: |
BB023940 |
Product Name: |
2,4-Dichloropyrimidine |
CAS: |
3934-20-1 |
Synonyms: |
2,4-dichloropyrimidine |
IUPAC Name: | 2,4-dichloropyrimidine |
Description: | 2,4-Dichloropyrimidine (CAS# 3934-20-1) is a compound useful in organic synthesis. |
Molecular Weight: | 148.98 |
Molecular Formula: | C4H2Cl2N2 |
Canonical SMILES: | C1=CN=C(N=C1Cl)Cl |
InChI: | InChI=1S/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2H |
InChI Key: | BTTNYQZNBZNDOR-UHFFFAOYSA-N |
Boiling Point: | 101 °C (23 mmHg), 100 °C (19 mmHg) |
Purity: | 98 % |
Density: | 1.493 g/cm3 (predict) |
MDL: | MFCD00006061 |
LogP: | 1.78340 |
GHS Hazard Statement: | H315 (92.86%): 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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PMID | Publication Date | Title | Journal |
22067202 | 20111109 | Synthesis and characterization of novel 2, 2'-bipyrimidine fluorescent derivative for protein binding | Chemistry Central journal |
21671633 | 20110718 | Chemistry-based risk assessment for skin sensitization: quantitative mechanistic modeling for the S(N)Ar domain | Chemical research in toxicology |
21754730 | 20110601 | 4,6-Dichloro-5-(2-meth-oxy-phen-oxy)-2,2'-bipyrimidine | Acta crystallographica. Section E, Structure reports online |
21754810 | 20110601 | N-(2-Chloro-pyrimidin-4-yl)-2-methyl-2H-indazol-6-amine methanol monosolvate | Acta crystallographica. Section E, Structure reports online |
21334254 | 20110501 | Molecular structure, harmonic and anharmonic frequency calculations of 2,4-dichloropyrimidine and 4,6-dichloropyrimidine by HF and density functional methods | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 78.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.9595035 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.9595035 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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