2,4,6-Trichloropyrimidine
Properties
- Molecular formula
- C4HCl3N2
- Molar mass
- 183.42 g/mol
- Exact mass
- 181.9205 Da
- Melting point
- 22.5 °C
- Boiling point
- 212.5 °C
- logP
- 2.44Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H300 Fatal if swallowed16.4% of notifiers
- H302 Harmful if swallowed65.6% of notifiers
- H310 Fatal in contact with skin16.4% of notifiers
- H312 Harmful in contact with skin65.6% of notifiers
- H314 Causes severe skin burns and eye damage26.2% of notifiers
- H315 Causes skin irritation73.8% of notifiers
- H319 Causes serious eye irritation73.8% of notifiers
- H330 Fatal if inhaled16.4% of notifiers
- H332 Harmful if inhaled65.6% of notifiers
- H335 May cause respiratory irritation73.8% of notifiers
Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
3764-01-0SMILES
Clc1cc(Cl)nc(Cl)n1InChIKey
DPVIABCMTHHTGB-UHFFFAOYSA-NInChI
InChI=1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Pyrimidine, 2,4,6-trichloro-
- NSC 6494
Work with 2,4,6-Trichloropyrimidine
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
2,4-Dichloro-6-methylpyrimidine5424-21-562 % similar
4,6-Dichloro-2-methylpyrimidine1780-26-355 % similar
2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-654 % similar
Cyanuric chloride108-77-053 % similar
2,4,6-Trichloropyridine16063-69-753 % similar
2,4-Dichloro-6-phenylpyrimidine26032-72-452 % similar
2-Methoxy-4,6-dichloropyrimidine1074-40-448 % similar
4,6-Dichloro-2-(methylthio)pyrimidine6299-25-848 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.