1,2-Dichloro-4-(trichloromethyl)benzene
Properties
- Molecular formula
- C7H3Cl5
- Molar mass
- 264.35 g/mol
- Exact mass
- 261.8677 Da
- Density
- 1.591 g/mL (at 20 °C)
- Melting point
- 25.8 °C
- Boiling point
- 283.1 °C
- Flash point
- 93.3 °C
- Water solubility
- < 1 g/L (21.1 °C)
- logP
- 4.82Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed75% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage25% of notifiers
- H335 May cause respiratory irritation75% of notifiers
- H413 May cause long lasting harmful effects to aquatic life75% of notifiers
Aggregated from 4 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+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, P501
Identifiers
CAS number
13014-24-9SMILES
Clc1ccc(C(Cl)(Cl)Cl)cc1ClInChIKey
ATYLRBXENHNROH-UHFFFAOYSA-NInChI
InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 3,4-Dichlorotrichloromethylbenzene
- Benzene, 1,2-dichloro-4-(trichloromethyl)-
- Toluene, α,α,α,3,4-pentachloro-
- 3,4-Dichlorophenyltrichloromethane
- α,α,α,3,4-Pentachlorotoluene
- 3,4-Dichlorobenzotrichloride
- 3,4-α,α,α-Pentachlorotoluene
- NSC 163901
Work with 1,2-Dichloro-4-(trichloromethyl)benzene
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
3,4-Dichlorobenzotrifluoride328-84-758 % similar
1,3-Bis(trichloromethyl)benzene881-99-257 % similar
1,4-Bis(trichloromethyl)benzene68-36-052 % similar
4-Chlorobenzotrichloride5216-25-148 % similar
2,3-Dichloro-5-(trichloromethyl)pyridine69045-83-647 % similar
1-Fluoro-3-(trichloromethyl)benzene401-77-446 % similar
1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-845 % similar
O-Chlorobenzotrichloride2136-89-244 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.