BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

1,2-dichloroethane

Graphical representations:

1,2-dichloroethane image

Molecular Formula: C2 H4 Cl2

Natural Isotopic Abundance Mass: 98.95916

Mono-Isotopic Molecular Masses:

  • C12N14: 97.9690055484
  • C13N14: 99.975715224
  • C12N15: 97.9690055484
  • C13N15: 99.975715224

InCHi String:

canonical and isomeric SMILES: C(CCl)Cl

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
1,2-dichloroethane

PubChem Substance (SID):   85165348   41603473   24857161
PubChem Compound (CID):   11
KEGG: Compound ID   C06752
CAS Registry IDs:   107-06-2
PDB Chemical Component   DCE
Miscellaneous Databases and IDs:   Sigma-Aldrich 284505_ALDRICH   ChEBI CHEBI:27789   EPA DSSTox 32731   ChemSpider 16128224   DrugBank DB03733   ChemDB 3969530   NIST Chemistry WebBook 1655202827   MMCD cq_03898   MDL MFCD00000963

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.