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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 – 7 of 7 results
1

1,1,2,2-Tetrachloroethane-d2, for NMR, 99.5+ atom % D

CAS: 33685-54-0 Molecular Formula: C2H2Cl4 Molecular Weight (g/mol): 169.85 InChI Key: QPFMBZIOSGYJDE-QDNHWIQGSA-N IUPAC Name: tetrachloro(²H₂)ethane SMILES: [2H]C(Cl)(Cl)C([2H])(Cl)Cl

CAS 33685-54-0
Molecular Weight (g/mol) 169.85
SMILES [2H]C(Cl)(Cl)C([2H])(Cl)Cl
IUPAC Name tetrachloro(²H₂)ethane
InChI Key QPFMBZIOSGYJDE-QDNHWIQGSA-N
Molecular Formula C2H2Cl4
2

Acetic acid-d, for NMR, 99.5 atom % D

CAS: 758-12-3 Molecular Formula: C2H3O2 Molecular Weight (g/mol): 59.05 InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-M IUPAC Name: acetate SMILES: CC([O-])=O

CAS 758-12-3
Molecular Weight (g/mol) 59.05
SMILES CC([O-])=O
IUPAC Name acetate
InChI Key QTBSBXVTEAMEQO-UHFFFAOYSA-M
Molecular Formula C2H3O2
3

1,1,2,2-Tetrachloroethane-d2, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D

CAS: 33685-54-0 Molecular Formula: C2H2Cl4 Molecular Weight (g/mol): 169.85 InChI Key: QPFMBZIOSGYJDE-QDNHWIQGSA-N IUPAC Name: tetrachloro(²H₂)ethane SMILES: [2H]C(Cl)(Cl)C([2H])(Cl)Cl

CAS 33685-54-0
Molecular Weight (g/mol) 169.85
SMILES [2H]C(Cl)(Cl)C([2H])(Cl)Cl
IUPAC Name tetrachloro(²H₂)ethane
InChI Key QPFMBZIOSGYJDE-QDNHWIQGSA-N
Molecular Formula C2H2Cl4
4

Sodium borodeuteride, 99% (Isotopic)

CAS: 15681-89-7 Molecular Formula: BH4Na Molecular Weight (g/mol): 37.83 MDL Number: MFCD00003519 InChI Key: YOQDYZUWIQVZSF-UHFFFAOYSA-N Synonym: sodium borodeuteride,sodium tetradeuterioboron,sodium borohydride-d4,sodium 2h4 tetrahydroborate 1-,sulfatase,borate 1-, tetrahydro-d4-, sodium,nabd4,sodium 2h4 boranuide,deuterated sodium borohydride PubChem CID: 23673181 IUPAC Name: sodium boranuide SMILES: [BH4-].[Na+]

PubChem CID 23673181
CAS 15681-89-7
Molecular Weight (g/mol) 37.83
MDL Number MFCD00003519
SMILES [BH4-].[Na+]
Synonym sodium borodeuteride,sodium tetradeuterioboron,sodium borohydride-d4,sodium 2h4 tetrahydroborate 1-,sulfatase,borate 1-, tetrahydro-d4-, sodium,nabd4,sodium 2h4 boranuide,deuterated sodium borohydride
IUPAC Name sodium boranuide
InChI Key YOQDYZUWIQVZSF-UHFFFAOYSA-N
Molecular Formula BH4Na
5

Ammonium-d{4} deuteroxide, 99% (Isotopic), 23.0-27.0 wt% soln. in D{2}O

CAS: 12168-30-8 Molecular Formula: H5NO Molecular Weight (g/mol): 40.077 MDL Number: MFCD00064511 InChI Key: VHUUQVKOLVNVRT-NSPFYZSMSA-N Synonym: ammonium deuteroxide,ammonium-d4 deuteroxide solution, 25 wt. % in d2o, 99 atom % d PubChem CID: 16211396 SMILES: N.O

PubChem CID 16211396
CAS 12168-30-8
Molecular Weight (g/mol) 40.077
MDL Number MFCD00064511
SMILES N.O
Synonym ammonium deuteroxide,ammonium-d4 deuteroxide solution, 25 wt. % in d2o, 99 atom % d
InChI Key VHUUQVKOLVNVRT-NSPFYZSMSA-N
Molecular Formula H5NO
6

Acetonitrile-d3, for NMR, 99.8 atom% D, AcroSeal™

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
7

Trifluoroacetic acid-d, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.03 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N IUPAC Name: trifluoroethan(²H)oic acid SMILES: [2H]OC(=O)C(F)(F)F

CAS 599-00-8
Molecular Weight (g/mol) 115.03
SMILES [2H]OC(=O)C(F)(F)F
IUPAC Name trifluoroethan(²H)oic acid
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2