2,4,6-Trichloro-5-nitropyrimidine - CAS 4359-87-9
Catalog: |
BB025428 |
Product Name: |
2,4,6-Trichloro-5-nitropyrimidine |
CAS: |
4359-87-9 |
Synonyms: |
2,4,6-trichloro-5-nitropyrimidine; 2,4,6-trichloro-5-nitropyrimidine |
IUPAC Name: | 2,4,6-trichloro-5-nitropyrimidine |
Description: | 2,4,6-Trichloro-5-nitropyrimidine (CAS# 4359-87-9) is a useful research chemical compound. |
Molecular Weight: | 228.42 |
Molecular Formula: | C4Cl3N3O2 |
Canonical SMILES: | C1(=C(N=C(N=C1Cl)Cl)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C4Cl3N3O2/c5-2-1(10(11)12)3(6)9-4(7)8-2 |
InChI Key: | QGFWFWSBFMRDNP-UHFFFAOYSA-N |
Boiling Point: | 313.5 ℃ at 760 mmHg |
Density: | 1.848 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00091516 |
LogP: | 2.86820 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020185738-A1 | Heteroaromatic and heterobicyclic aromatic derivatives for the treatment of ferroptosis-related disorders | 20190311 |
US-2020190045-A1 | Ferroportin inhibitors and methods of use | 20181213 |
WO-2020123850-A1 | Ferroportin inhibitors and methods of use | 20181213 |
EP-3894416-A1 | Ferroportin inhibitors and methods of use | 20181213 |
CN-111072667-A | Five-membered or six-membered heterocyclic pyrimidine compound and application thereof | 20181022 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.905609 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.905609 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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