Chloral
Properties
- Molecular formula
- C2HCl3O
- Molar mass
- 147.38 g/mol
- Exact mass
- 145.9093 Da
- Density
- 1.5121 g/mL (at 20 °C)
- Melting point
- −57.5 °C
- Boiling point
- 97.8 °C
- pKa
- 9.66
- Flash point
- 75 °C
- Water solubility
- freely soluble
- logP
- 1.56Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed92.3% of notifiers
- H315 Causes skin irritation98.1% of notifiers
- H319 Causes serious eye irritation98.1% of notifiers
- H330 Fatal if inhaled13.5% of notifiers
- H335 May cause respiratory irritation84.6% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
75-87-6SMILES
O=CC(Cl)(Cl)ClInChIKey
HFFLGKNGCAIQMO-UHFFFAOYSA-NInChI
InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Acetaldehyde, 2,2,2-trichloro-
- Acetaldehyde, trichloro-
- 2,2,2-Trichloroacetaldehyde
- Anhydrous chloral
- Trichloroacetaldehyde
- Trichloroethanal
- Grasex
- Sporotal 100
- 2,2,2-Trichloroethanal
Work with Chloral
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
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds