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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 – 15 of 1,549 results
1

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

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
2

Trifluoroacetic acid-d, 99.5%(Isotopic)

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N Synonym: trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
Synonym trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
3

Acetic acid-d{4}, 99.5% (Isotopic)

CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N Synonym: acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d PubChem CID: 2723903 SMILES: [2H]OC(=O)C([2H])([2H])[2H]

PubChem CID 2723903
CAS 1186-52-3
Molecular Weight (g/mol) 64.08
MDL Number MFCD00051051
SMILES [2H]OC(=O)C([2H])([2H])[2H]
Synonym acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d
InChI Key QTBSBXVTEAMEQO-GUEYOVJQSA-N
Molecular Formula C2H4O2
4

Trifluoroacetic acid-d, for NMR, 99 atom % D

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
5

Acetic-d3 acid-d, for NMR, 99.5 atom % D

CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N Synonym: acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d PubChem CID: 2723903 IUPAC Name: deuterio 2,2,2-trideuterioacetate SMILES: [2H]OC(=O)C([2H])([2H])[2H]

PubChem CID 2723903
CAS 1186-52-3
Molecular Weight (g/mol) 64.08
MDL Number MFCD00051051
SMILES [2H]OC(=O)C([2H])([2H])[2H]
Synonym acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d
IUPAC Name deuterio 2,2,2-trideuterioacetate
InChI Key QTBSBXVTEAMEQO-GUEYOVJQSA-N
Molecular Formula C2H4O2
6

Acetic acid-d, for NMR, 98 atom % D

CAS: 758-12-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 61.058 MDL Number: MFCD00051050 InChI Key: QTBSBXVTEAMEQO-DYCDLGHISA-N Synonym: acetic acid-d,acetic acid-d1,monodeuteroacetic acid,acetic 2h acid,acetic acid-od,o-2h acetic acid,mono-deuteroacetic acid,ch3cood PubChem CID: 2723902 IUPAC Name: deuterio acetate SMILES: CC(=O)O

PubChem CID 2723902
CAS 758-12-3
Molecular Weight (g/mol) 61.058
MDL Number MFCD00051050
SMILES CC(=O)O
Synonym acetic acid-d,acetic acid-d1,monodeuteroacetic acid,acetic 2h acid,acetic acid-od,o-2h acetic acid,mono-deuteroacetic acid,ch3cood
IUPAC Name deuterio acetate
InChI Key QTBSBXVTEAMEQO-DYCDLGHISA-N
Molecular Formula C2H4O2
7

Formic acid-d2, for NMR, 99+ atom % D, 95% solution in D2O

CAS: 920-42-3 Molecular Formula: CH2O2 Molecular Weight (g/mol): 48.037 MDL Number: MFCD00037363 InChI Key: BDAGIHXWWSANSR-PFUFQJKNSA-N Synonym: formic acid-d2,2h formic 2 acid,dcood,2h2 formic acid,formic-d acid-d 6ci,7ci,8ci,9ci,formic-d acid-d, 95 wt% in deuterium oxide,formic acid-d2, 95 wt. % in d2o, 98 atom % d PubChem CID: 123092 IUPAC Name: deuterio deuterioformate SMILES: C(=O)O

PubChem CID 123092
CAS 920-42-3
Molecular Weight (g/mol) 48.037
MDL Number MFCD00037363
SMILES C(=O)O
Synonym formic acid-d2,2h formic 2 acid,dcood,2h2 formic acid,formic-d acid-d 6ci,7ci,8ci,9ci,formic-d acid-d, 95 wt% in deuterium oxide,formic acid-d2, 95 wt. % in d2o, 98 atom % d
IUPAC Name deuterio deuterioformate
InChI Key BDAGIHXWWSANSR-PFUFQJKNSA-N
Molecular Formula CH2O2
13

Pentadecafluorooctanoic Acid-13C, TRC

CAS: 864071-09-0 Molecular Formula: 13C C7 H F15 O2 Molecular Weight (g/mol): 415.061 Synonym: Perfluorooctanoic Acid-13C (1-13C),Octanoic-1-13C acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- (9CI) IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro(1^{13}C)octanoic acid SMILES: O[13C](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

CAS 864071-09-0
Molecular Weight (g/mol) 415.061
SMILES O[13C](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Synonym Perfluorooctanoic Acid-13C (1-13C),Octanoic-1-13C acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- (9CI)
IUPAC Name 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro(1^{13}C)octanoic acid
Molecular Formula 13C C7 H F15 O2
14

2,2,3,3,3-Pentafluoropropanoic Acid-13C, TRC

Molecular Formula: 13C C2 H F5 O2 Molecular Weight (g/mol): 165.024 Synonym: Pentafluoro-propanoic-13C Acid,Pentafluoro-propionic-13C Acid,2,2,3,3,3-Pentafluoropropionic-13C Acid,Pentafluoropropanoic-13C Acid,Pentafluoropropionic-13C Acid,Perfluoropropanoic-13C Acid,Perfluoropropionic-13C Acid IUPAC Name: 2,2,3,3,3-pentafluoro(1^{13}C)propanoic acid SMILES: O[13C](=O)C(F)(F)C(F)(F)F

Molecular Weight (g/mol) 165.024
SMILES O[13C](=O)C(F)(F)C(F)(F)F
Synonym Pentafluoro-propanoic-13C Acid,Pentafluoro-propionic-13C Acid,2,2,3,3,3-Pentafluoropropionic-13C Acid,Pentafluoropropanoic-13C Acid,Pentafluoropropionic-13C Acid,Perfluoropropanoic-13C Acid,Perfluoropropionic-13C Acid
IUPAC Name 2,2,3,3,3-pentafluoro(1^{13}C)propanoic acid
Molecular Formula 13C C2 H F5 O2
15

Pentanedioic-d6 Acid, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 154184-99-3
Molecular Weight (g/mol) 138.15
InChI Formula InChI=1 S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/i1D2,2D2,3D2
Chemical Name or Material Pentanedioic-d6 Acid
SMILES [2 H]C([2 H])(C(=O)O)C([2 H])([2 H])C([2 H])([2 H])C(=O)O
Synonym Pentanedioic-d6 acid (9 CI, ACI),Pentanedioic-2,2,3,3,4,4-d6 acid,Glutaric-2,2,3,3,4,4-d6 acid,Glutaric-d6 acid,Glutaric acid-d6,Pentanedioic acid D6
Recommended Storage Room Temperature
IUPAC Name 2,2,3,3,4,4-hexadeuteriopentanedioic acid
Molecular Formula C5 D6 H2 O4
Formula Weight 138.0799 g/mol