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-nitro-pyrimidine; Pyrimidine, 2,4,6-trichloro-5-nitro-
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BB025428
10 g
$599
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IUPAC Name: 2,4,6-trichloro-5-nitropyrimidine
Description: 2,4,6-Trichloro-5-nitropyrimidine 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 °C at 760 mmHg
Purity: 98%
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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