2,4-Dichloro-5-methylpyrimidine - CAS 1780-31-0
Catalog: |
BB013381 |
Product Name: |
2,4-Dichloro-5-methylpyrimidine |
CAS: |
1780-31-0 |
Synonyms: |
2,4-dichloro-5-methylpyrimidine |
IUPAC Name: | 2,4-dichloro-5-methylpyrimidine |
Description: | 2,4-Dichloro-5-methylpyrimidine (CAS# 1780-31-0) is a compound useful in organic synthesis. |
Molecular Weight: | 163.00 |
Molecular Formula: | C5H4Cl2N2 |
Canonical SMILES: | CC1=CN=C(N=C1Cl)Cl |
InChI: | InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3 |
InChI Key: | DQXNTSXKIUZJJS-UHFFFAOYSA-N |
Boiling Point: | 108-109 °C (11 mmHg) |
Purity: | 97.0 % |
Density: | 1.39 g/cm3 |
MDL: | MFCD00023197 |
LogP: | 2.09180 |
GHS Hazard Statement: | H314 (92.16%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461687-A | 2, 8-aza- [4,5] decaspirocyclic ketone derivative and preparation method and application thereof | 20210810 |
CN-113512004-A | Synthetic method of 2-fluoro-5-trifluoromethylpyrimidine | 20210722 |
CN-112807310-A | Application of 2, 4-diamino substituted-5-methylpyrimidine micromolecule compound | 20210204 |
CN-112778282-A | Pyrimidine micromolecule compound and application thereof | 20210106 |
CN-112110863-A | Sulfonyl fluoride compound, preparation method thereof and method for preparing sulfonamide compound through sulfonyl fluoride compound | 20200827 |
Complexity: | 99 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.9751535 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.9751535 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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