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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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211 – 225 of 8,794 results
211

Methyl sulfoxide-d6, for NMR, with 0.03% TMS, 99.9 atom% D

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.17 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6,dmso-d6,dimethylsulfoxide-d6,deuterated dmso,methane-d3,sulfinylbis-9ci,methane-d3, sulfinylbis,hexadeuterodimethyl sulfoxide,methane-d3-, sulfinylbis,methanesulfinylmethyl hydrogen,dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]

PubChem CID 75151
CAS 2206-27-1
Molecular Weight (g/mol) 84.17
MDL Number MFCD00002090
SMILES [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
Synonym dimethyl sulfoxide-d6,dmso-d6,dimethylsulfoxide-d6,deuterated dmso,methane-d3,sulfinylbis-9ci,methane-d3, sulfinylbis,hexadeuterodimethyl sulfoxide,methane-d3-, sulfinylbis,methanesulfinylmethyl hydrogen,dimethyl-d6 sulfoxide
IUPAC Name trideuterio(trideuteriomethylsulfinyl)methane
InChI Key IAZDPXIOMUYVGZ-WFGJKAKNSA-N
Molecular Formula C2H6OS
212

Acetonitrile-d3, for NMR, 99.5 atom % D

CAS: 2206-26-0 Molecular Formula: C2H3N Molecular Weight (g/mol): 44.07 MDL Number: MFCD00001881 InChI Key: WEVYAHXRMPXWCK-FIBGUPNXSA-N IUPAC Name: (²H₃)acetonitrile SMILES: [2H]C([2H])([2H])C#N

CAS 2206-26-0
Molecular Weight (g/mol) 44.07
MDL Number MFCD00001881
SMILES [2H]C([2H])([2H])C#N
IUPAC Name (²H₃)acetonitrile
InChI Key WEVYAHXRMPXWCK-FIBGUPNXSA-N
Molecular Formula C2H3N
213
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Acetone-d6, for NMR, packaged in 0.75ml ampoules, 100.0 atom % D

CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C

PubChem CID 522220
CAS 666-52-4
Molecular Weight (g/mol) 64.117
ChEBI CHEBI:78217
MDL Number MFCD00044635
SMILES CC(=O)C
Synonym acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone
IUPAC Name 1,1,1,3,3,3-hexadeuteriopropan-2-one
InChI Key CSCPPACGZOOCGX-WFGJKAKNSA-N
Molecular Formula C3H6O
214

Nitromethane-d3, for NMR, 99.5 atom % D

CAS: 13031-32-8 Molecular Formula: CH3NO2 Molecular Weight (g/mol): 64.06 MDL Number: MFCD00044214 InChI Key: LYGJENNIWJXYER-FIBGUPNXSA-N IUPAC Name: nitro(²H₃)methane SMILES: [2H]C([2H])([2H])[N+]([O-])=O

CAS 13031-32-8
Molecular Weight (g/mol) 64.06
MDL Number MFCD00044214
SMILES [2H]C([2H])([2H])[N+]([O-])=O
IUPAC Name nitro(²H₃)methane
InChI Key LYGJENNIWJXYER-FIBGUPNXSA-N
Molecular Formula CH3NO2
215

Toluene-d8, for NMR, 99.8 atom % D

CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 InChI Key: YXFVVABEGXRONW-JGUCLWPXSA-N IUPAC Name: 1-(²H₃)methyl(²H₅)benzene SMILES: [2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C([2H])([2H])[2H]

CAS 2037-26-5
Molecular Weight (g/mol) 100.19
SMILES [2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C([2H])([2H])[2H]
IUPAC Name 1-(²H₃)methyl(²H₅)benzene
InChI Key YXFVVABEGXRONW-JGUCLWPXSA-N
Molecular Formula C7H8
216

Chloroform-d, for NMR, 100.0 atom % D, stabilized with silver

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.38 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N IUPAC Name: trichloro(²H)methane SMILES: [2H]C(Cl)(Cl)Cl

CAS 865-49-6
Molecular Weight (g/mol) 120.38
SMILES [2H]C(Cl)(Cl)Cl
IUPAC Name trichloro(²H)methane
InChI Key HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular Formula CHCl3
217

Deuterium chloride 20% soln. in D2O, deuteration. deg. min. 99.5%, for NMR, MagniSolv™, MilliporeSigma™

CAS: 7705-07-9 Molecular Formula: Cl3Ti Molecular Weight (g/mol): 154.22 MDL Number: MFCD00011266 InChI Key: YONPGGFAJWQGJC-UHFFFAOYSA-K IUPAC Name: titanium(3+) trichloride SMILES: [Cl-].[Cl-].[Cl-].[Ti+3]

CAS 7705-07-9
Molecular Weight (g/mol) 154.22
MDL Number MFCD00011266
SMILES [Cl-].[Cl-].[Cl-].[Ti+3]
IUPAC Name titanium(3+) trichloride
InChI Key YONPGGFAJWQGJC-UHFFFAOYSA-K
Molecular Formula Cl3Ti
218

Chloroform - D1, deuteration degree min. 99.8% for NMR spectroscopy, MagniSolv™, MilliporeSigma™

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

PubChem CID 71583
CAS 865-49-6
Molecular Weight (g/mol) 120.375
ChEBI CHEBI:85365
SMILES C(Cl)(Cl)Cl
Synonym chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero
IUPAC Name trichloro(deuterio)methane
InChI Key HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular Formula CHCl3
219

Tetramethylsilane, for the calibration of NMR spectra for NMR spectroscopy, MagniSolv™, MilliporeSigma™

CAS: 75-76-3 Molecular Formula: C4H12Si Molecular Weight (g/mol): 88.23 MDL Number: MFCD00008274 InChI Key: CZDYPVPMEAXLPK-UHFFFAOYSA-N Synonym: silane, tetramethyl,tetramethylsilicane,tetramethyl silane,silicon, tetramethyl,tetramethyl-silane,unii-41y0rbg14q,me4si,ch3 4si,si ch3 4,chembl68073 PubChem CID: 6396 ChEBI: CHEBI:85361 IUPAC Name: tetramethylsilane SMILES: C[Si](C)(C)C

PubChem CID 6396
CAS 75-76-3
Molecular Weight (g/mol) 88.23
ChEBI CHEBI:85361
MDL Number MFCD00008274
SMILES C[Si](C)(C)C
Synonym silane, tetramethyl,tetramethylsilicane,tetramethyl silane,silicon, tetramethyl,tetramethyl-silane,unii-41y0rbg14q,me4si,ch3 4si,si ch3 4,chembl68073
IUPAC Name tetramethylsilane
InChI Key CZDYPVPMEAXLPK-UHFFFAOYSA-N
Molecular Formula C4H12Si
220

Dimethyl sulfoxide - D6,w/TMS(0.03 vol.%),deuteratn. deg.min. 99.96% for NMR MagniSolv™, MilliporeSigma™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.17 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6,dmso-d6,dimethylsulfoxide-d6,deuterated dmso,methane-d3,sulfinylbis-9ci,methane-d3, sulfinylbis,hexadeuterodimethyl sulfoxide,methane-d3-, sulfinylbis,methanesulfinylmethyl hydrogen,dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: (²H₃)methanesulfinyl(²H₃)methane SMILES: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]

PubChem CID 75151
CAS 2206-27-1
Molecular Weight (g/mol) 84.17
MDL Number MFCD00002090
SMILES [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
Synonym dimethyl sulfoxide-d6,dmso-d6,dimethylsulfoxide-d6,deuterated dmso,methane-d3,sulfinylbis-9ci,methane-d3, sulfinylbis,hexadeuterodimethyl sulfoxide,methane-d3-, sulfinylbis,methanesulfinylmethyl hydrogen,dimethyl-d6 sulfoxide
IUPAC Name (²H₃)methanesulfinyl(²H₃)methane
InChI Key IAZDPXIOMUYVGZ-WFGJKAKNSA-N
Molecular Formula C2H6OS
221

Chloroform - D1, deuteration degree min. 99.8% for NMR spectroscopy, MagniSolv™, MilliporeSigma™

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

PubChem CID 71583
CAS 865-49-6
Molecular Weight (g/mol) 120.375
ChEBI CHEBI:85365
SMILES C(Cl)(Cl)Cl
Synonym chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero
IUPAC Name trichloro(deuterio)methane
InChI Key HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular Formula CHCl3
222

Dimethylformamide - D7, deuteration degree min. 99.5% for NMR spectroscopy MagniSolv™, MilliporeSigma™

CAS: 4472-41-7 Molecular Formula: C3H7NO Molecular Weight (g/mol): 80.138 InChI Key: ZMXDDKWLCZADIW-YYWVXINBSA-N Synonym: n,n-dimethylformamide-d7,dmf-d7,deuterated dmf,n,n-di 2h3 methyl 2h formamide,dimethyl formamide-d7,dimethylformamide d,heptadeutero-n,n-dimethylformamide,n,n-dimethylformamide-d7 dmf-d7,formamide-1-d, n,n-di methyl-d3,n,n-dimethylformamide-d7 99.5atom%d PubChem CID: 78225 IUPAC Name: 1-deuterio-N,N-bis(trideuteriomethyl)formamide SMILES: CN(C)C=O

PubChem CID 78225
CAS 4472-41-7
Molecular Weight (g/mol) 80.138
SMILES CN(C)C=O
Synonym n,n-dimethylformamide-d7,dmf-d7,deuterated dmf,n,n-di 2h3 methyl 2h formamide,dimethyl formamide-d7,dimethylformamide d,heptadeutero-n,n-dimethylformamide,n,n-dimethylformamide-d7 dmf-d7,formamide-1-d, n,n-di methyl-d3,n,n-dimethylformamide-d7 99.5atom%d
IUPAC Name 1-deuterio-N,N-bis(trideuteriomethyl)formamide
InChI Key ZMXDDKWLCZADIW-YYWVXINBSA-N
Molecular Formula C3H7NO
223

Tetrahydrofuran-D8, deuteration degree min 99.5% for NMR spectroscopy MagniSolv™, MilliporeSigma™

CAS: 1693-74-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 80.16 MDL Number: MFCD00044238 InChI Key: WYURNTSHIVDZCO-SVYQBANQSA-N Synonym: tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4 PubChem CID: 80290 IUPAC Name: (²H₈)oxolane SMILES: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]

PubChem CID 80290
CAS 1693-74-9
Molecular Weight (g/mol) 80.16
MDL Number MFCD00044238
SMILES [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]
Synonym tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4
IUPAC Name (²H₈)oxolane
InChI Key WYURNTSHIVDZCO-SVYQBANQSA-N
Molecular Formula C4H8O
224

alpha-Methyl-gamma-butyrolactone 98.0+%, TCI America™

CAS: 1679-47-6 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00005396 InChI Key: QGLBZNZGBLRJGS-UHFFFAOYNA-N Synonym: Dihydro-3-methyl-2(3H)-furanone PubChem CID: 98323 IUPAC Name: 3-methyloxolan-2-one SMILES: CC1CCOC1=O

PubChem CID 98323
CAS 1679-47-6
Molecular Weight (g/mol) 100.12
MDL Number MFCD00005396
SMILES CC1CCOC1=O
Synonym Dihydro-3-methyl-2(3H)-furanone
IUPAC Name 3-methyloxolan-2-one
InChI Key QGLBZNZGBLRJGS-UHFFFAOYNA-N
Molecular Formula C5H8O2
225

Deuterium Oxide 99.8atom%D, TCI America™

CAS: 7789-20-0 Molecular Formula: H2O Molecular Weight (g/mol): 20.03 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N Synonym: deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o PubChem CID: 24602 ChEBI: CHEBI:41981 IUPAC Name: [(²H)oxy](²H) SMILES: [2H]O[2H]

PubChem CID 24602
CAS 7789-20-0
Molecular Weight (g/mol) 20.03
ChEBI CHEBI:41981
MDL Number MFCD00044636
SMILES [2H]O[2H]
Synonym deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o
IUPAC Name [(²H)oxy](²H)
InChI Key XLYOFNOQVPJJNP-ZSJDYOACSA-N
Molecular Formula H2O