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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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Keyword Search:
1 – 15 of 88 results
1

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
2

Acetonitrile-d3, for NMR, 99 atom % D

CAS: 2206-26-0 Molecular Formula: C2H3N Molecular Weight (g/mol): 44.07 MDL Number: MFCD00001881 InChI Key: WEVYAHXRMPXWCK-FIBGUPNXSA-N PubChem CID: 123151 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
InChI Key WEVYAHXRMPXWCK-FIBGUPNXSA-N
Molecular Formula C2H3N
3

Acetonitrile-d3, for NMR, 99.8 atom % D

CAS: 2206-26-0 Molecular Weight (g/mol): 44.07

CAS 2206-26-0
Molecular Weight (g/mol) 44.07
4

Acetonitrile-d{3}, 100% (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
5

Acetonitrile-d3, for NMR, contains 1 v/v% TMS, 99 atom % D

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
13

Phenyl-d5-acetonitrile, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 70026-36-7
Molecular Weight (g/mol) 122.179
InChI Formula InChI=1 S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5 H,6H2/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material 2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile
SMILES [2 H]c1c([2 H])c([2 H])c(CC#N)c([2 H])c1[2 H]
Recommended Storage Room Temperature
IUPAC Name 2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile
Molecular Formula C8 2H5 H2 N
Formula Weight 122.089 g/mol
14

4-Methoxyphenyl-2,3,5,6-d4-acetonitrile, CDN

Discover 4000+ high-quality deuterated compounds, shipping directly from stock for speed. We offer many unique API’s, including active pharmaceutical ingredients, nitrosoamines, amino acids, steroids, gases, pesticides, and fatty acids.

Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 1219798-74-9
Molecular Weight (g/mol) 151.1985
InChI Formula InChI=1 S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5 H,6H2,1H3/i2D,3 D,4 D,5 D
Chemical Name or Material (4-Methoxyphenyl)acetonitrile-D4 (methoxyphenyl-2,3,5,6-D4)
SMILES [2 H]c1c([2 H])c(OC)c([2 H])c([2 H])c1CC#N
Synonym 4-Methoxyphenyl-2,3,5,6-d4-acetonitrile,4-(Methoxyphenyl-2,3,5,6-d4)acetonitrile,4-Methoxyphenylacetonitrile-d4,4-Methoxybenzene-2,3,5,6-d4-acetonitrile,1-(Cyanomethyl)-4-methoxybenzene-2,3,5,6-d4,p-Methoxybenzylnitrile-d4,(4-Methoxyphenyl)acetonitrile-D4 (methoxyphenyl-2,3,5,6-D4)
Recommended Storage Room Temperature
IUPAC Name 2-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetonitrile
Molecular Formula C9 D4 H5 N O
Formula Weight 151.0935 g/mol
15

5-Methoxyindole-3-acetonitrile-d2, TRC

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Molecular Weight (g/mol) 188.222
InChI Formula InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3/i4D2
Chemical Name or Material 5-Methoxyindole-3-acetonitrile-d2
SMILES [2H]C([2H])(C#N)c1c[nH]c2ccc(OC)cc12
Synonym 5-Methoxy-1H-indole-3-acetonitrile-d2,(5-Methoxy-1H-indol-3-yl)acetonitrile-d2,3-(Cyanomethyl)-5-methoxyindole-d2,5-Methoxyindole-3-acetonitrile-d2
IUPAC Name 2,2-dideuterio-2-(5-methoxy-1H-indol-3-yl)acetonitrile
Molecular Formula C11 D2 H8 N2 O
Formula Weight 188.092