1,3-Dichloro-2,2-bis(chloromethyl)propane

C5H8Cl4CAS 3228-99-7209.92 g/mol

Open in Covalent MOL file
ClClClCl
Alkyl halide

Properties

Molecular formula
C5H8Cl4
Molar mass
209.92 g/mol
Exact mass
207.9380 Da
Melting point
97 °C
Boiling point
100 °C (at 12 Torr)
logP
2.93Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
3228-99-7
SMILES
ClCC(CCl)(CCl)CCl
InChIKey
KPZGRMZPZLOPBS-UHFFFAOYSA-N
InChI
InChI=1S/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2

Weigh it out

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

Names and synonyms

8 names
  • Propane, 1,3-dichloro-2,2-bis(chloromethyl)-
  • Pentaerythritol tetrachloride
  • Pentaerythrityl tetrachloride
  • Tetrachloride
  • Tetrakis(chloromethyl)methane
  • 2,2-Bis(chloromethyl)-1,3-dichloropropane
  • NSC 405471
  • NSC 408644

Work with 1,3-Dichloro-2,2-bis(chloromethyl)propane

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

3,3-Bis(chloromethyl)oxetane78-71-764 % similar 1,2,2,3-Tetrachloropropane13116-53-543 % similar 1,1,1,2-Tetrachloroethane630-20-643 % similar 2,2-Dimethyl-1,3-dichloropropane29559-55-540 % similar 2-Chloro-1,1,1-trifluoroethane75-88-740 % similar 1-Chloro-2,2-dimethylpropane753-89-940 % similar 2-(Chloromethyl)-2-methyloxirane598-09-437 % similar 1,2-Dichloro-1,1-difluoroethane1649-08-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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