P,P'-Ddd

C₁₄H₁₀Cl₄CAS 72-54-8320.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₄H₁₀Cl₄
Molar mass: 320.03 g/mol
Exact mass: 317.9537 Da
Density: 1.39 g/mL
Melting point: 109–110 °C
Boiling point: 193 °C (at 1 Torr)
Water solubility: 160 µg/L (24 °C)
logP: 5.93Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed91.7% of notifiers
H312 Harmful in contact with skin91.7% of notifiers
H351 Suspected of causing cancer25% of notifiers
H400 Very toxic to aquatic life75% of notifiers
H410 Very toxic to aquatic life with long lasting effects75% of notifiers

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P273, P280, P301+P316, P302+P352, P317, P318, P321, P330, P362+P364, P391, P405, P501

Identifiers

CAS number

72-54-8

SMILES

Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1

InChIKey

AHJKRLASYNVKDZ-UHFFFAOYSA-N

InChI

InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H

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Names and synonyms

25 names · show all

Dichlorodiphenyldichloroethane
Benzene, 1,1′-(2,2-dichloroethylidene)bis[4-chloro-
Ethane, 1,1-dichloro-2,2-bis(p-chlorophenyl)-
1,1′-(2,2-Dichloroethylidene)bis[4-chlorobenzene]
ME 1700
1,1-Bis(p-chlorophenyl)-2,2-dichloroethane
1,1-Bis(4-chlorophenyl)-2,2-dichloroethane
DDD
1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane
p,p′-Dichlorodiphenyldichloroethane
Dilene
Rhothane
TDE
2,2-Bis(p-chlorophenyl)-1,1-dichloroethane
p,p′-TDE
1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane
p,p′-DDD
p,p′-Dichlorodiphenylethylene dichloride
4,4′-DDD
2,2-Bis(4-chlorophenyl)-1,1-dichloroethane
4,4′-TDE
4,4′-Dichlorodiphenyldichloroethane
NSC 8941
2,2-Di(p-chlorophenyl)-1,1-dichloroethane
4,4′-1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane

Work with P,P'-Ddd

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

DDT50-29-350 % similar 4-Chlorobenzhydryl chloride134-83-848 % similar 4,4′-Dichlorobenzhydrol90-97-148 % similar 1,4-Dichlorobenzene106-46-747 % similar 2-(4-Chlorophenyl)-1,3-dioxolane2403-54-543 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-343 % similar 4-Chlorostyrene oxide2788-86-543 % similar 1-(4-Chlorophenyl)ethanol3391-10-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Mitotane53-19-0

Elsewhere

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