Cas no 119206-70-1 (Chlorocyclohexane-d11)

Chlorocyclohexane-d11 is a deuterated organic compound where eleven hydrogen atoms in the cyclohexane ring are replaced by deuterium (D), with a chlorine substituent at one position. This isotopically labeled variant is particularly valuable in NMR spectroscopy and mass spectrometry, as the deuterium substitution minimizes interference from proton signals, enhancing spectral clarity. It serves as a useful internal standard or reference material in analytical chemistry, ensuring precise quantification and structural elucidation. The compound’s stability and defined isotopic purity make it suitable for mechanistic studies, kinetic research, and tracer applications in synthetic and pharmaceutical chemistry. Its use is critical in minimizing experimental variability in deuterium-sensitive studies.

Chlorocyclohexane-d11 structure

Product Name:Chlorocyclohexane-d11

CAS No:119206-70-1

MF:C₆H₁₁Cl

MW:129.67231965065

CID:132114

PubChem ID:11819102

Update Time:2025-06-07

Chlorocyclohexane-d11 Chemical and Physical Properties

Names and Identifiers

- Cyclohexane-d11,chloro- (9CI)
- CHLOROCYCLOHEXANE-D11
- Chlorocyclohexane-d11, 98 atom % D
- 119206-70-1
- CS-0567654
- HY-W133908S
- SCHEMBL1331738
- 1-chloro-1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexane
- D98568
- Chlorocyclohexane-d11
- Inchi： 1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2,4D2,5D2,6D
- InChI Key： UNFUYWDGSFDHCW-KAFHOZLVSA-N
- SMILES： ClC1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

Computed Properties

Exact Mass: 129.1239723g/mol
Monoisotopic Mass: 129.1239723g/mol
Isotope Atom Count: 11
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Heavy Atom Count: 7
Rotatable Bond Count: 0
Complexity: 46.1
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3
Topological Polar Surface Area: 0?2

Experimental Properties

Density: 1.091 g/mL at 25 °C
Melting Point: -44 °C(lit.)
Boiling Point: 142 °C(lit.)

Chlorocyclohexane-d11 Pricemore >>

Related Categories	No.	Product Name	Cas No.	Specification	Price	update time
TRC	C293202-50mg	Chlorocyclohexane-d11	119206-70-1	50mg	$ 150.00	2023-04-18
TRC	C293202-100mg	Chlorocyclohexane-d11	119206-70-1	100mg	$ 236.00	2023-04-18
TRC	C293202-250mg	Chlorocyclohexane-d11	119206-70-1	250mg	$ 506.00	2023-04-18