2,4-Dichlorobenzyl chloride
Properties
- Molecular formula
- C7H5Cl3
- Molar mass
- 195.47 g/mol
- Exact mass
- 193.9457 Da
- Melting point
- −2.6 °C
- Boiling point
- 248 °C
- logP
- 3.73Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed54.2% of notifiers
- H314 Causes severe skin burns and eye damage55.1% of notifiers
- H315 Causes skin irritation44.9% of notifiers
- H319 Causes serious eye irritation44.9% of notifiers
- H332 Harmful if inhaled35.5% of notifiers
- H335 May cause respiratory irritation45.8% of notifiers
- H400 Very toxic to aquatic life14% of notifiers
- H410 Very toxic to aquatic life with long lasting effects13.1% of notifiers
- H411 Toxic to aquatic life with long lasting effects38.3% of notifiers
Aggregated from 107 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
94-99-5SMILES
ClCc1ccc(Cl)cc1ClInChIKey
IRSVDHPYXFLLDS-UHFFFAOYSA-NInChI
InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzene, 2,4-dichloro-1-(chloromethyl)-
- Toluene, α,2,4-trichloro-
- 2,4-Dichloro-1-(chloromethyl)benzene
- α,2,4-Trichlorotoluene
- 2,4,α-Trichlorotoluene
- 1-Chloromethyl-2,4-dichlorobenzene
- NSC 406892
Work with 2,4-Dichlorobenzyl chloride
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-Dichlorobenzyl alcohol1777-82-861 % similar
2,4-Dichlorobenzyl bromide20443-99-661 % similar
2,4-Dichlorobenzenemethanethiol59293-67-361 % similar
2,4-Dichlorobenzenemethanamine95-00-161 % similar
4-Chloro-2-fluorobenzyl chloride87417-71-859 % similar
2-Chloro-1-(chloromethyl)-4-fluorobenzene93286-22-759 % similar
2-Chlorobenzyl chloride611-19-858 % similar
2,4-Dichlorophenethyl alcohol81156-68-557 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.