Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51838
Common Name:	4,4'-dichlorodiphenylmethane
Systematic Name:	1,1'-methylenebis(4-chlorobenzene)
Synonyms:	1-chloro-4-(4-chlorobenzyl)benzene; 4,4'-dichlorodiphenylmethane; bis(4-chlorophenyl)methane; bis(p-chlorophenyl)methane; bis-(4-chlorophenyl)-methane; di(4-chlorophenyl)methane; di(p-chlorophenyl)methane; p,p'-dichlorodiphenylmethane [PubChem Synonyms]
Exact Mass:	236.0160 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C13H10Cl2
InChIKey:	LQGSWLJZAKVBJH-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Diphenylmethanes [C0000369]
ClassyFire direct parent:	Diphenylmethanes [C0000369]
SMILES:	c1cc(ccc1Cc1ccc(cc1)Cl)Cl
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	7576
CHEBI ID:	28763
Plant Metabolite Hub(Pmhub):	MS000019271

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y