4,6-Dichloro-5-nitropyrimidine

C4HCl2N3O2CAS 4316-93-2193.97 g/mol

Open in Covalent MOL file
ON+O−ClNNCl
Aryl halideNitro

Properties

Molecular formula
C4HCl2N3O2
Molar mass
193.97 g/mol
Exact mass
192.9446 Da
Melting point
102–104 °C
logP
1.69Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4316-93-2
SMILES
O=[N+]([O-])c1c(Cl)ncnc1Cl
InChIKey
HCTISZQLTGAYOX-UHFFFAOYSA-N
InChI
InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H

Weigh it out

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Names and synonyms

2 names
  • Pyrimidine, 4,6-dichloro-5-nitro-
  • NSC 89693

Work with 4,6-Dichloro-5-nitropyrimidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Trichloro-5-nitropyrimidine4359-87-964 % similar 2,4-Dichloro-3-nitropyridine5975-12-259 % similar 2-Chloro-4-methyl-3-nitropyridine23056-39-556 % similar 4-Amino-2-chloro-3-nitropyridine2789-25-556 % similar 6-Hydroxy-5-nitro-4(3H)-pyrimidinone2164-83-253 % similar 4-Chloro-6-nitroquinazoline19815-16-851 % similar 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-251 % similar 2,4-Dichloro-6-methyl-5-nitropyrimidine13162-26-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-5-nitropyrimidine49845-33-2

Elsewhere

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