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Isotopically Labeled Compounds

Chemicals to which isotopes have been attached in order to label specific atoms. Isotopically labeled compounds are commonly used in synthetic chemistry, characterization techniques such as NMR, and biology.
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1 – 8 of 8 results
1

Diethyl-d10 Carbonate, CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
CAS 440671-47-6
Molecular Weight (g/mol) 128.1927
InChI Formula InChI=1 S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2
Chemical Name or Material Diethyl Carbonate D10
SMILES [2 H]C([2 H])([2 H])C([2 H])([2 H])OC(=O)OC([2 H])([2 H])C([2 H])([2 H])[2 H]
Synonym Ethan-d5-ol, carbonate (2:1) (9 CI),Carbonic acid di(ethyl-d5) ester,Carbonic acid diethyl ester-d10,Diethyl carbonate-d10,Ethyl carbonate-d10,Diethyl-d10 Carbonate
Recommended Storage Room Temperature
IUPAC Name bis(1,1,2,2,2-pentadeuterioethyl) carbonate
Molecular Formula C5 D10 O3
Formula Weight 128.1258 g/mol
2

Ethylene-d4 Carbonate, CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
CAS 362049-63-6
Molecular Weight (g/mol) 92.09
InChI Formula InChI=1 S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2/i1D2,2D2
Chemical Name or Material 1,3-Dioxolan-2-one-d4
SMILES [2 H]C1([2 H])OC(=O)OC1([2 H])[2 H]
Recommended Storage Room Temperature
IUPAC Name 4,4,5,5-tetradeuterio-1,3-dioxolan-2-one
Molecular Formula C3 2H4 O3
Formula Weight 92.0412 g/mol
3

(±)-1,2-Propylene-d6 Carbonate, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 202480-74-8
Molecular Weight (g/mol) 108.13
InChI Formula InChI=1 S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/i1D3,2D2,3 D
Chemical Name or Material 1,2-Propylene-d6 Carbonate
SMILES [2 H]C([2 H])([2 H])C1([2 H])OC(=O)OC1([2 H])[2 H]
Recommended Storage Room Temperature
IUPAC Name 4,4,5-trideuterio-5-(trideuteriomethyl)-1,3-dioxolan-2-one
Molecular Formula C4 2H6 O3
Formula Weight 108.0694 g/mol
4

Dimethyl-d6 Carbonate, CDN

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5

Tri-iso-propyl-d21-phosphine Carbon Disulfide Complex, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 1219798-41-0
Molecular Weight (g/mol) 257.507
InChI Formula InChI=1 S/C9H21P.CS2/c1-7(2)10(8(3)4)9(5)6;2-1-3/h7-9 H,1-6H3;/i1D3,2D3,3D3,4D3,5D3,6D3,7 D,8 D,9 D;
Chemical Name or Material Tri(isopropyl)phosphine-D21 Carbon Disulfide Complex
SMILES [2 H]C([2 H])([2 H])C([2 H])(P(C([2 H])(C([2 H])([2 H])[2 H])C([2 H])([2 H])[2 H])C([2 H])(C([2 H])([2 H])[2 H])C([2 H])([2 H])[2 H])C([2 H])([2 H])[2 H].S=C=S
Synonym Phosphine, tris[1-(methyl-d3)ethyl-1,2,2,2-d4]-, compd. with carbon disulfide (1:1) (ACI),Tri-iso-propyl-d21-phosphine carbon disulfide complex,Tri(isopropyl)phosphine-D21 carbon disulfide complex,Tri(isopropyl-d7)phosphine carbon disulfide complex
Recommended Storage Room Temperature
IUPAC Name methanedithione;tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phosphane
Molecular Formula C9 D21 P . C S2
Formula Weight 257.214 g/mol
6

1,1,2,2-Tetrachloroethane-d{2}, 99.5% (Isotopic)

CAS: 33685-54-0 Molecular Formula: C2H2Cl4 Molecular Weight (g/mol): 169.85 MDL Number: MFCD00037672 InChI Key: QPFMBZIOSGYJDE-QDNHWIQGSA-N Synonym: 1,1,2,2-tetrachloroethane-d2,1,2-dideutero-1,1,2,2-tetrachloroethane,tetrachloro 2 h? ethane,1,1,2,2-tetrachloroethane-d2 tce-d2,ethane-d2, 1,1,2,2-tetrachloro,ethane-1,2-d2, 1,1,2,2-tetrachloro,1,1,2,2-tetrachloro-1,2-2h2 ethane,de87d,1,1,2,2-tetrachloroethane-d2 >99.50 atom % d,1,1,2,2-tetrachloroethane-d2, ≥99.5 atom % d PubChem CID: 118531 IUPAC Name: 1,1,2,2-tetrachloro-1,2-dideuterioethane SMILES: C(C(Cl)Cl)(Cl)Cl

PubChem CID 118531
CAS 33685-54-0
Molecular Weight (g/mol) 169.85
MDL Number MFCD00037672
SMILES C(C(Cl)Cl)(Cl)Cl
Synonym 1,1,2,2-tetrachloroethane-d2,1,2-dideutero-1,1,2,2-tetrachloroethane,tetrachloro 2 h? ethane,1,1,2,2-tetrachloroethane-d2 tce-d2,ethane-d2, 1,1,2,2-tetrachloro,ethane-1,2-d2, 1,1,2,2-tetrachloro,1,1,2,2-tetrachloro-1,2-2h2 ethane,de87d,1,1,2,2-tetrachloroethane-d2 >99.50 atom % d,1,1,2,2-tetrachloroethane-d2, ≥99.5 atom % d
IUPAC Name 1,1,2,2-tetrachloro-1,2-dideuterioethane
InChI Key QPFMBZIOSGYJDE-QDNHWIQGSA-N
Molecular Formula C2H2Cl4
7

Acetonitrile-d{3}, 99.8% (Isotopic)

CAS: 2206-26-0 Molecular Formula: C2H3N Molecular Weight (g/mol): 44.07 MDL Number: MFCD00001881 InChI Key: WEVYAHXRMPXWCK-FIBGUPNXSA-N Synonym: acetonitrile-d3,2h3 acetonitrile,cd3cn,acetonitrile-2,2,2-d3,methyl-d3 cyanide,trideuteroacetonitrile,acetonitrile-d3, 99.8 atom % d,acetonitrile-d3, ≥99.8 atom % d,acetonitrile-d isotopic 5g PubChem CID: 123151 IUPAC Name: 2,2,2-trideuterioacetonitrile SMILES: [2H]C([2H])([2H])C#N

PubChem CID 123151
CAS 2206-26-0
Molecular Weight (g/mol) 44.07
MDL Number MFCD00001881
SMILES [2H]C([2H])([2H])C#N
Synonym acetonitrile-d3,2h3 acetonitrile,cd3cn,acetonitrile-2,2,2-d3,methyl-d3 cyanide,trideuteroacetonitrile,acetonitrile-d3, 99.8 atom % d,acetonitrile-d3, ≥99.8 atom % d,acetonitrile-d isotopic 5g
IUPAC Name 2,2,2-trideuterioacetonitrile
InChI Key WEVYAHXRMPXWCK-FIBGUPNXSA-N
Molecular Formula C2H3N
8

(±)-2-Amino-1-propanol-1,1,2,3,3,3-d6-N-t-BOC, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 2243764-35-2
Molecular Weight (g/mol) 181.2625
InChI Formula InChI=1 S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10 H,5H2,1-4H3,(H,9,11)/i1D3,5D2,6 D
Chemical Name or Material tert-Butyl (1-hydroxypropan-2-yl-1,1,2,3,3,3-d6)carbonate-D6
SMILES [2 H]C([2 H])([2 H])C([2 H])(NC(=O)OC(C)(C)C)C([2 H])([2 H])O
Synonym Carbamic acid, N-[1-(hydroxymethyl-d2)ethyl-1,2,2,2-d4]-, 1,1-dimethylethyl ester (ACI),1,1-Dimethylethyl N-[1-(hydroxymethyl-d2)ethyl-1,2,2,2-d4]carbamate (ACI),tert-Butyl N-(1-hydroxypropan-2-yl-1,1,2,3,3,3-d6)carbamate,N-Boc-DL-alaninol-1,1,2,3,3,3-D6,N-tert-Butyloxycarbonyl DL-Alaninol-d6
Recommended Storage Room Temperature
IUPAC Name tert-butyl N-(1,1,1,2,3,3-hexadeuterio-3-hydroxypropan-2-yl)carbamate
Molecular Formula C8 D6 H11 N O3
Formula Weight 181.1585 g/mol