Dichloroacetaldehyde
Properties
- Molecular formula
- C2H2Cl2O
- Molar mass
- 112.94 g/mol
- Exact mass
- 111.9483 Da
- Density
- 1.436 g/mL (at 25 °C)
- Melting point
- −37.6–37.4 °C
- Boiling point
- 89.2 °C
- Flash point
- 60 °C
- Water solubility
- soluble
- logP
- 0.99Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed50% of notifiers
- H310+H330 Fatal in contact with skin or if inhaled50% of notifiers
- H310 Fatal in contact with skin50% of notifiers
- H314 Causes severe skin burns and eye damage50% of notifiers
- H318 Causes serious eye damage50% of notifiers
- H330 Fatal if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
- H351 Suspected of causing cancer50% of notifiers
- H400 Very toxic to aquatic life50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
79-02-7SMILES
O=CC(Cl)ClInChIKey
NWQWQKUXRJYXFH-UHFFFAOYSA-NInChI
InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Acetaldehyde, 2,2-dichloro-
- Acetaldehyde, dichloro-
- 2,2-Dichloroacetaldehyde
- Chloroaldehyde
- α,α-Dichloroacetaldehyde
- NSC 5207
Work with Dichloroacetaldehyde
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
2,3-Dichloropropanal10140-89-340 % similar
Cyclopropanecarboxaldehyde1489-69-635 % similar
2-Bromopropanedial2065-75-035 % similar
Isobutyraldehyde78-84-235 % similar
Cyclobutanecarboxaldehyde2987-17-932 % similar
Cyclopentanecarboxaldehyde872-53-732 % similar
Cyclohexanecarboxaldehyde2043-61-030 % similar
2,2-Dimethoxyacetaldehyde51673-84-830 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds