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 559 results

m-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6, CDN

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Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	29636-65-5
Molecular Weight (g/mol)	112.2
InChI Formula	InChI=1 S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6 H,1-2H3/i1D3,2D3
Chemical Name or Material	m-Xylene dimethyl-d6
SMILES	[2 H]C([2 H])([2 H])c1cccc(c1)C([2 H])([2 H])[2 H]
Synonym	m-Xylene D6 (Dimethyl D6),m-Xylene D6 (dimethyl D6),m-Xylene-α,α,α,α',α',α'-d6 (6 CI,8 CI),Benzene, 1,3-di(methyl-d3)- (9 CI)
Recommended Storage	Room Temperature
IUPAC Name	1,3-bis(trideuteriomethyl)benzene
Molecular Formula	C8 2H6 H4
Formula Weight	112.1159 g/mol

p-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	25493-13-4
Molecular Weight (g/mol)	112.202
InChI Formula	InChI=1 S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6 H,1-2H3/i1D3,2D3
Chemical Name or Material	p-Xylene D6 (Dimethyl D6)
SMILES	[2 H]C([2 H])([2 H])c1ccc(cc1)C([2 H])([2 H])[2 H]
Synonym	p-Xylene D6 (Dimethyl D6),p-Xylene D6 (dimethyl D6),p-Xylene-α,α,α,α',α',α'-d6 (7 CI,8 CI),1,4-Di(methyl-d3)benzene,p-Xylene-d6,p-Xylene-α,α'-d6,p-Xylene-α,α'-d6
Recommended Storage	Room Temperature
IUPAC Name	1,4-bis(trideuteriomethyl)benzene
Molecular Formula	C8 D6 H4
Formula Weight	112.116 g/mol

alpha,alpha,alpha-Trichlorotoluene-d5, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	93232-45-2
Molecular Weight (g/mol)	200.5044
InChI Formula	InChI=1 S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5 H/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material	alpha,alpha,alpha-Trichlorotoluene-D5
SMILES	[2 H]c1c([2 H])c([2 H])c(c([2 H])c1[2 H])C(Cl)(Cl)Cl
Synonym	Benzene-d5, (trichloromethyl)- (9 CI),(Trichloromethyl)benzene-d5,α,α,α-Trichlorotoluene-d5,alpha,alpha,alpha-Trichlorotoluene-d5,α,α,α-Trichlorotoluene-D5
Recommended Storage	Room Temperature
IUPAC Name	1,2,3,4,5-pentadeuterio-6-(trichloromethyl)benzene
Molecular Formula	C7 D5 Cl3
Formula Weight	198.9771 g/mol

alpha,alpha,alpha-Trifluorotoluene-d5, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	164112-72-5
Molecular Weight (g/mol)	151.1406
InChI Formula	InChI=1 S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5 H/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material	Trifluoromethylbenzene-D5
SMILES	[2 H]c1c([2 H])c([2 H])c(c([2 H])c1[2 H])C(F)(F)F
Synonym	Benzene-d5, (trifluoromethyl)- (9 CI, ACI),(Trifluoromethyl)benzene-d5 (ACI),Trifluoromethylbenzene-D5,α,α,α-Trifluorotoluene-d5
Recommended Storage	Room Temperature
IUPAC Name	1,2,3,4,5-pentadeuterio-6-(trifluoromethyl)benzene
Molecular Formula	C7 D5 F3
Formula Weight	151.0657 g/mol

o-Xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6, CDN

Pricing and Availability

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	26204-18-2
Molecular Weight (g/mol)	109.18
InChI Formula	InChI=1 S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6 H,1-2H3/i1D3
Chemical Name or Material	p-Xylene methyl-d3
SMILES	[2 H]C([2 H])([2 H])c1ccc(C)cc1
Synonym	p-Xylene D3 (Methyl D3),p-Xylene D3 (methyl D3),p-Xylene-α,α,α-d3 (8 CI),1-Methyl-4-(methyl-d3)benzene,Benzene, 1-methyl-4-(methyl-d3)-
Recommended Storage	Room Temperature
IUPAC Name	1-methyl-4-(trideuteriomethyl)benzene
Molecular Formula	C8 2H3 H7
Formula Weight	109.0971 g/mol

4-Methoxytoluene-alpha,alpha,alpha-d3, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	14202-49-4
Molecular Weight (g/mol)	125.1829
InChI Formula	InChI=1 S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6 H,1-2H3/i1D3
Chemical Name or Material	4-Methoxytoluene-Alpha,Alpha,Alpha-d3
SMILES	[2 H]C([2 H])([2 H])c1ccc(OC)cc1
Synonym	Benzene, 1-methoxy-4-(methyl-d3)- (9 CI, ACI),1-Methoxy-4-(methyl-d3)benzene (ACI),Anisole, p-methyl-d3- (6 CI, 7 CI, 8 CI),4-Methoxytoluene-α,α,α-d3,p-Methyl-d3-anisole,1-Methoxy-4-methylbenzene-d3,1-Methoxy-4-methylbenzene-D3 (4-methyl-D3)
Recommended Storage	Room Temperature
IUPAC Name	1-methoxy-4-(trideuteriomethyl)benzene
Molecular Formula	C8 D3 H7 O
Formula Weight	125.092 g/mol

2-Methoxytoluene-alpha,alpha,alpha-d3, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	258832-47-2
Molecular Weight (g/mol)	125.1829
InChI Formula	InChI=1 S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6 H,1-2H3/i1D3
Chemical Name or Material	1-Methoxy-2-methylbenzene-D3 (2-methyl-D3)
SMILES	[2 H]C([2 H])([2 H])c1ccccc1OC
Synonym	Benzene, 1-methoxy-2-(methyl-d3)- (9 CI),2-Methoxytoluene-α,α,α-d3,1-Methoxy-2-(methyl-d3)benzene,2-Methoxytoluene-d3,2-Methyl-d3-anisole,1-Methoxy-2-methylbenzene-D3 (2-methyl-D3)
Recommended Storage	Room Temperature
IUPAC Name	1-methoxy-2-(trideuteriomethyl)benzene
Molecular Formula	C8 D3 H7 O
Formula Weight	125.092 g/mol

2,6-Diaminotoluene-alpha,alpha,alpha-d3, CDN

Pricing and Availability
Specifications

Percent Purity	97 atom % D, min 98% Chemical Purity
CAS	362049-58-9
Molecular Weight (g/mol)	125.19
InChI Formula	InChI=1 S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4 H,8-9H2,1H3/i1D3
Chemical Name or Material	2,6-Diaminotoluene-d3
SMILES	[2 H]C([2 H])([2 H])c1c(N)cccc1N
Recommended Storage	Room Temperature
IUPAC Name	2-(trideuteriomethyl)benzene-1,3-diamine
Molecular Formula	C7 2H3 H7 N2
Formula Weight	125.1032 g/mol

2,6-Dinitrotoluene-alpha,alpha,alpha-d3, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	93951-90-7
Molecular Weight (g/mol)	185.15
InChI Formula	InChI=1 S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4 H,1H3/i1D3
Chemical Name or Material	2,6-Dinitrotoluene methyl-d3
SMILES	[2 H]C([2 H])([2 H])c1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Synonym	Benzene, 2-(methyl-d3)-1,3-dinitro- (9 CI),2,6-Dinitrotoluene (methyl-D3),2-Trideuteromethyl-1,3-dinitrobenzene
Recommended Storage	Room Temperature
IUPAC Name	1,3-dinitro-2-(trideuteriomethyl)benzene
Molecular Formula	C7 2H3 H3 N2 O4
Formula Weight	185.0516 g/mol

Thymine-alpha,alpha,alpha,6-d4, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	200496-79-3
Molecular Weight (g/mol)	130.138
InChI Formula	InChI=1 S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)/i1D3,2 D
Chemical Name or Material	Thymine-D4 (6-D,methyl-D3)
SMILES	[2 H]C1=C(C(=O)NC(=O)N1)C([2 H])([2 H])[2 H]
Synonym	2,4(1 H,3 H)-Pyrimidinedione-6-d, 5-(methyl-d3)- (9 CI, ACI),5-(Methyl-d3)-2,4(1 H,3 H)-pyrimidinedione-6-d (ACI),Thymine-d4,Thymine-D4 (6-D,methyl-D3),Thymine-α,α,α,6-d4
Recommended Storage	Room Temperature
IUPAC Name	6-deuterio-5-(trideuteriomethyl)-1 H-pyrimidine-2,4-dione
Molecular Formula	C5 D4 H2 N2 O2
Formula Weight	130.068 g/mol

4-Fluorotoluene-alpha,alpha,alpha-d3, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	4202-91-9
Molecular Weight (g/mol)	113.1474
InChI Formula	InChI=1 S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5 H,1H3/i1D3
Chemical Name or Material	4-Fluorotoluene-alpha,alpha,alpha-D3
SMILES	[2 H]C([2 H])([2 H])c1ccc(F)cc1
Synonym	Benzene, 1-fluoro-4-(methyl-d3)- (9 CI, ACI),1-Fluoro-4-(methyl-d3)benzene (ACI),Toluene-α,α,α-d3, p-fluoro- (7 CI, 8 CI),1-Fluoro-4-(2H3)methylbenzene,4-Fluorotoluene-α,α,α-d3,4-Fluorotoluene-α,α,α-D3
Recommended Storage	Room Temperature
IUPAC Name	1-fluoro-4-(trideuteriomethyl)benzene
Molecular Formula	C7 D3 H4 F
Formula Weight	113.072 g/mol

2-Nitrotoluene-alpha,alpha,alpha-d3, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	70786-67-3
Molecular Weight (g/mol)	140.15
InChI Formula	InChI=1 S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5 H,1H3/i1D3
Chemical Name or Material	2-Nitrotoluene methyl-d3
SMILES	[2 H]C([2 H])([2 H])c1ccccc1[N+](=O)[O-]
Synonym	Benzene, 1-(methyl-d3)-2-nitro- (9 CI),2-Nitrotoluene (methyl-D3),o-Nitro-α,α,α-trideuteriotoluene
Recommended Storage	Room Temperature
IUPAC Name	1-nitro-2-(trideuteriomethyl)benzene
Molecular Formula	C7 2H3 H4 N O2
Formula Weight	140.0665 g/mol

2,4-Dinitrotoluene-alpha,alpha,alpha-d3, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	70786-68-4
Molecular Weight (g/mol)	185.15
InChI Formula	InChI=1 S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4 H,1H3/i1D3
Chemical Name or Material	2,4-Dinitrotoluene methyl-d3
SMILES	[2 H]C([2 H])([2 H])c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Synonym	Benzene, 1-(methyl-d3)-2,4-dinitro- (9 CI),2,4-Dinitrotoluene (methyl-D3),1-Trideuteromethyl-2,4-dinitrobenzene
Recommended Storage	Room Temperature
IUPAC Name	2,4-dinitro-1-(trideuteriomethyl)benzene
Molecular Formula	C7 2H3 H3 N2 O4
Formula Weight	185.0516 g/mol

2,4-Diaminotoluene-alpha,alpha,alpha-d3, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	71111-08-5
Molecular Weight (g/mol)	125.19
InChI Formula	InChI=1 S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4 H,8-9H2,1H3/i1D3
Chemical Name or Material	2,4-Diaminotoluene-d3
SMILES	[2 H]C([2 H])([2 H])c1ccc(N)cc1N
Recommended Storage	Room Temperature
IUPAC Name	4-(trideuteriomethyl)benzene-1,3-diamine
Molecular Formula	C7 2H3 H7 N2
Formula Weight	125.1032 g/mol

Isotopically Labeled Compounds

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