Deuterated dichloromethane

Deuterated dichloromethane
Names
	Preferred IUPAC name Dichloro(2H2)methane
Identifiers
CAS Number	1665-00-5;
3D model (JSmol)	Interactive image;
Beilstein Reference	1733318
ChemSpider	141111 ;
ECHA InfoCard	100.015.252
EC Number	216-776-0;
PubChem CID	160586;
UN number	1593
CompTox Dashboard (EPA)	DTXSID80937204 ;
	InChI InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2 Key: YMWUJEATGCHHMB-DICFDUPASA-N ;
	SMILES [2H]C([2H])(Cl)Cl;
Properties
Chemical formula	C2H2Cl2 or CD2Cl2
Molar mass	86.945 g mol−1
Density	1.362 g cm−3
Boiling point	40 °C (104 °F; 313 K)
Vapor pressure	52.6 kPa (at 20 °C)
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H319, H335, H351, H373
Precautionary statements	P201, P202, P260, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P314, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
NFPA 704 (fire diamond)	2 1 0
Related compounds
Related compounds	Deuterated chloroform; Dichloromethane
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Deuterated dichloromethane (CD₂Cl₂ or C²H₂Cl₂)^[a] is a form (isotopologue) of dichloromethane (DCM, CH₂Cl₂) in which the hydrogen atoms (H) are deuterium (heavy hydrogen) (²H or D).^[2] Deuterated DCM is not a common solvent used in NMR spectroscopy as it is expensive compared to deuterated chloroform.

Notes

^ IUPAC recommends that the symbol for deuterium should be ²H, rather than D.^[1] It follows that the latter formula, C²H₂Cl₂, is more correct.

References

^ "Provisional Recommendations". Nomenclature of Inorganic Chemistry. Chemical Nomenclature and Structure Representation Division. IUPAC. § IR-3.3.2. Archived from the original on 27 October 2006. Retrieved 2024-08-01.
^ Bertolini, Alessandro; Carelli, Giorgio; Moretti, Augusto; Moruzzi, Giovanni (2001). "Assignment of Fir Laser Lines of Fully Deuterated Dichloromethane". International Journal of Infrared and Millimeter Waves. 22 (10): 1421–1431. doi:10.1023/A:1015082422018. S2CID 116030713.

[2] IUPAC recommends that the symbol for deuterium should be ²H, rather than D.^[1] It follows that the latter formula, C²H₂Cl₂, is more correct.

[1] "Provisional Recommendations". Nomenclature of Inorganic Chemistry. Chemical Nomenclature and Structure Representation Division. IUPAC. § IR-3.3.2. Archived from the original on 27 October 2006. Retrieved 2024-08-01.

[3] Bertolini, Alessandro; Carelli, Giorgio; Moretti, Augusto; Moruzzi, Giovanni (2001). "Assignment of Fir Laser Lines of Fully Deuterated Dichloromethane". International Journal of Infrared and Millimeter Waves. 22 (10): 1421–1431. doi:10.1023/A:1015082422018. S2CID 116030713.

[a]

[2]

[1]

Deuterated NMR solvents
Deuterated acetone - (CD₃)₂C=O Deuterated benzene - C₆D₆ Deuterated chloroform - CDCl₃ - CD₂Cl₂ Deuterated DMF - (CD₃)₂NCOD Deuterated DMSO - (CD₃)₂S=O Deuterated ethanol - C₂D₅OD Deuterated methanol - CD₃OD Deuterated THF - (C₄D₈)O Deuterated water - D₂O
Reference 1H and 13C chemical shifts