1,1,2,2-Tetrachloro-(1,2-2H2)ethane

C₂D₂Cl₄CAS 33685-54-0169.85 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂D₂Cl₄
Molar mass: 169.85 g/mol
Exact mass: 167.9036 Da
logP: 2.59Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H310 Fatal in contact with skin100% of notifiers
H330 Fatal if inhaled100% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P271, P273, P280, P284, P302+P352, P304+P340, P316, P320, P321, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

33685-54-0

SMILES

[2H]C(Cl)(Cl)C([2H])(Cl)Cl

InChIKey

QPFMBZIOSGYJDE-QDNHWIQGSA-N

InChI

InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H/i1D,2D

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1,1,2,2-Tetrachloroethane-D2
Ethane-1,2-d2, 1,1,2,2-tetrachloro-
1,1,2,2-Tetrachloroethane-1,2-d2
Sym-Tetrachlorodideuterioethane
1,1,2,2-Tetrachloro-1,2-d2-ethane
1,1,2,2-Tetrachloro-1,2-dideuterioethane

Work with 1,1,2,2-Tetrachloro-(1,2-2H2)ethane

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,1,2,2-Tetrachloroethane79-34-5Unlabelled

Similar compounds

Tetrachloroethylene127-18-433 % similar Deuterated chloroform865-49-633 % similar

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

Same formula

1,1,1,2-Tetrachloroethane630-20-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook