2-Chloropyrimidine
Properties
- Molecular formula
- C4H3ClN2
- Molar mass
- 114.53 g/mol
- Exact mass
- 113.9985 Da
- Melting point
- 66–68 °C
- Boiling point
- 75–76 °C
- logP
- 1.13Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed85.7% of notifiers
- H315 Causes skin irritation12.5% of notifiers
- H317 May cause an allergic skin reaction16.1% of notifiers
- H319 Causes serious eye irritation91.1% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1722-12-9SMILES
Clc1ncccn1InChIKey
UNCQVRBWJWWJBF-UHFFFAOYSA-NInChI
InChI=1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Pyrimidine, 2-chloro-
- NSC 43544
- Pyrimidin-2-yl chloride
- 2-Chloro-1,3-pyrimidine
Reactions
Work with 2-Chloropyrimidine
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,2′-Bipyrimidine34671-83-550 % similar
2-Chloropyridine109-09-143 % similar
2-Mercaptopyrimidine1450-85-742 % similar
2,5-Dichloropyrimidine22536-67-042 % similar
2-Iodopyrimidine31462-54-142 % similar
2-Bromopyrimidine4595-60-242 % similar
2-Methylpyrimidine5053-43-042 % similar
Pyrimidone557-01-742 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds