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.

1 – 15 of 1,100 results

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

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Specifications

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

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]

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Specifications

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

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

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Specifications

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

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

Pricing and Availability
Specifications

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

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

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Specifications

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

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

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

Pricing and Availability
Specifications

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

Pentanedioic-d6 Acid, CDN

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Specifications

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

Nonanoic-d17 Acid, CDN

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Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	130348-94-6
Molecular Weight (g/mol)	175.34
InChI Formula	InChI=1 S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
Chemical Name or Material	n-Nonanoic Acid-d17
SMILES	[2 H]C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C(=O)O
Synonym	1-Octanecarboxylic Acid-d17,Emery 1203-d17,Grantrico-d17,NSC 62787-d17,NSC 65450-d17,Nonanoic-d17 acid (9 CI),Nonanoic-d17 acid (9 CI),Nonanoic-d17 acid (9 CI),Nonanoic-d17 acid (9 CI),Nonanoic-d17 acid (9 CI),Nonanoic-d17 acid (9 CI),Nonanoic-d17 acid (9 CI),Nonanoic-d17 acid (9 CI),Nonanoic-d17 acid (9 CI),Nonanoic-d17 acid (9 CI),Nonanoic-d17 acid (9 CI)
Recommended Storage	Room Temperature
IUPAC Name	2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuteriononanoic acid
Molecular Formula	C9 D17 H O2
Formula Weight	175.2374 g/mol

Methacrylic Acid-d6, CDN

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Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	92140-95-9
Molecular Weight (g/mol)	92.1262
InChI Formula	InChI=1 S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)/i1D2,2D3/hD
Chemical Name or Material	Methacrylic Acid-d6
SMILES	[2 H]OC(=O)C(=C([2 H])[2 H])C([2 H])([2 H])[2 H]
Synonym	2-Propenoic-3,3-d2 acid-d, 2-(methyl-d3)- (9 CI, ACI),2-(Methyl-d3)-2-propenoic-3,3-d2 acid-d (ACI),Methacrylic Acid-d6,Methacrylic Acid-D6,α-Methylacrylic acid-d6
Recommended Storage	+4°C
IUPAC Name	deuterio 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate
Molecular Formula	C4 D6 O2
Formula Weight	92.0744 g/mol

Isotopically Labeled Compounds

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