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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 232 results
1

Bromobenzene-d{5}, 99% (Isotopic)

CAS: 4165-57-5 Molecular Formula: C6H5Br Molecular Weight (g/mol): 162.04 MDL Number: MFCD00000056 InChI Key: QARVLSVVCXYDNA-RALIUCGRSA-N Synonym: bromobenzene-d5,bromo 2h5 benzene,1-bromo 2 h? benzene,bromobenzene d5,benzene-d5, bromo,1-bromo 2h5 benzene,c6d5br,bromobenzene-d5, 99.5 atom % d,bromobenzene-d5, reagent grade, ≥99 atom % d cp PubChem CID: 2723968 SMILES: [2H]C1=C([2H])C([2H])=C(Br)C([2H])=C1[2H]

PubChem CID 2723968
CAS 4165-57-5
Molecular Weight (g/mol) 162.04
MDL Number MFCD00000056
SMILES [2H]C1=C([2H])C([2H])=C(Br)C([2H])=C1[2H]
Synonym bromobenzene-d5,bromo 2h5 benzene,1-bromo 2 h? benzene,bromobenzene d5,benzene-d5, bromo,1-bromo 2h5 benzene,c6d5br,bromobenzene-d5, 99.5 atom % d,bromobenzene-d5, reagent grade, ≥99 atom % d cp
InChI Key QARVLSVVCXYDNA-RALIUCGRSA-N
Molecular Formula C6H5Br
2

Chlorobenzene-d{5}, 99% (Isotopic), Thermo Scientific Chemicals

CAS: 3114-55-4 Molecular Formula: C6H5Cl Molecular Weight (g/mol): 117.587 MDL Number: MFCD00000531 InChI Key: MVPPADPHJFYWMZ-RALIUCGRSA-N Synonym: chlorobenzene-d5,chloro 2h5 benzene,1-chloro 2 h? benzene,chlorobenzene d5,benzene-d5, chloro,2h5 phenyl chloride,1-chloro 2h5 benzene,benzene-d5-, chloro,chlorobenzene, perdeutero,chlorobenzene-d5, 99 atom % d PubChem CID: 575975 IUPAC Name: 1-chloro-2,3,4,5,6-pentadeuteriobenzene SMILES: C1=CC=C(C=C1)Cl

PubChem CID 575975
CAS 3114-55-4
Molecular Weight (g/mol) 117.587
MDL Number MFCD00000531
SMILES C1=CC=C(C=C1)Cl
Synonym chlorobenzene-d5,chloro 2h5 benzene,1-chloro 2 h? benzene,chlorobenzene d5,benzene-d5, chloro,2h5 phenyl chloride,1-chloro 2h5 benzene,benzene-d5-, chloro,chlorobenzene, perdeutero,chlorobenzene-d5, 99 atom % d
IUPAC Name 1-chloro-2,3,4,5,6-pentadeuteriobenzene
InChI Key MVPPADPHJFYWMZ-RALIUCGRSA-N
Molecular Formula C6H5Cl
3

Cyclohexane-d12, for NMR, 99.5 atom % D, Thermo Scientific™

CAS: 1735-17-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 96.24 MDL Number: 00044212 InChI Key: XDTMQSROBMDMFD-LBTWDOQPSA-N IUPAC Name: (²H₁₂)cyclohexane SMILES: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

CAS 1735-17-7
Molecular Weight (g/mol) 96.24
MDL Number 00044212
SMILES [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
IUPAC Name (²H₁₂)cyclohexane
InChI Key XDTMQSROBMDMFD-LBTWDOQPSA-N
Molecular Formula C6H12
4

N,N-Dimethylacetamide-d{9}, 99% (Isotopic)

CAS: 116057-81-9 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00066061 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: n,n-dimethylacetamide-d9,n,n-bis ∼2∼h_3_ methyl ∼2∼h_3_ acetamide,an,n-dimethylacetamide-d9,n,n-dimethylacetamide-d9, 99 atom % d,n,n-bis 2 h? methyl 2 h? acetamide,n,n-di 2 h? methyl 2 h? acetamide PubChem CID: 22789542 SMILES: CN(C)C(C)=O

PubChem CID 22789542
CAS 116057-81-9
Molecular Weight (g/mol) 87.12
MDL Number MFCD00066061
SMILES CN(C)C(C)=O
Synonym n,n-dimethylacetamide-d9,n,n-bis ∼2∼h_3_ methyl ∼2∼h_3_ acetamide,an,n-dimethylacetamide-d9,n,n-dimethylacetamide-d9, 99 atom % d,n,n-bis 2 h? methyl 2 h? acetamide,n,n-di 2 h? methyl 2 h? acetamide
InChI Key FXHOOIRPVKKKFG-UHFFFAOYSA-N
Molecular Formula C4H9NO
5

1,2-Dichlorobenzene-d{4}, 99% (Isotopic), Thermo Scientific Chemicals

CAS: 2199-69-1 Molecular Formula: C6H4Cl2 Molecular Weight (g/mol): 151.02 MDL Number: MFCD00037106 InChI Key: RFFLAFLAYFXFSW-RHQRLBAQSA-N Synonym: 1,2-dichlorobenzene-d4,1,2-dichlorobenzene d4,benzene-1,2,3,4-d4-, 5,6-dichloro,o-dichloro 2h4 benzene,deuterated 1,2-dichlorobenzene,tetradeutero-1,2-dichlorobenzene,1,2-dichlorobenzene-d4, 98 atom % d,1,2-dichlorobenzene-d4,98atom%d,benzene-1,2,3,4-d4, 5,6-dichloro,1,2-dichloro-3,4,5,6-tetradeuterobenzene PubChem CID: 519913 IUPAC Name: 1,2-dichloro-3,4,5,6-tetradeuteriobenzene SMILES: [2H]C1=C([2H])C([2H])=C(Cl)C(Cl)=C1[2H]

PubChem CID 519913
CAS 2199-69-1
Molecular Weight (g/mol) 151.02
MDL Number MFCD00037106
SMILES [2H]C1=C([2H])C([2H])=C(Cl)C(Cl)=C1[2H]
Synonym 1,2-dichlorobenzene-d4,1,2-dichlorobenzene d4,benzene-1,2,3,4-d4-, 5,6-dichloro,o-dichloro 2h4 benzene,deuterated 1,2-dichlorobenzene,tetradeutero-1,2-dichlorobenzene,1,2-dichlorobenzene-d4, 98 atom % d,1,2-dichlorobenzene-d4,98atom%d,benzene-1,2,3,4-d4, 5,6-dichloro,1,2-dichloro-3,4,5,6-tetradeuterobenzene
IUPAC Name 1,2-dichloro-3,4,5,6-tetradeuteriobenzene
InChI Key RFFLAFLAYFXFSW-RHQRLBAQSA-N
Molecular Formula C6H4Cl2
6

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
7

Nitromethane-d{3}, 99%(Isotopic), Thermo Scientific Chemicals

CAS: 13031-32-8 Molecular Formula: CH3NO2 Molecular Weight (g/mol): 64.06 MDL Number: MFCD00044214 InChI Key: LYGJENNIWJXYER-FIBGUPNXSA-N Synonym: nitromethane-d3,nitro 2h3 methane,nitro 2 h? methane,nitromethane-d3, 99 atom % d,methane-d3, nitro,cd3no2,trideuteronitromethane,methane-d3-, nitro,nitromethane-d3, ≥99 atom % d, contains 1 % v/v tms PubChem CID: 123293 IUPAC Name: trideuterio(nitro)methane SMILES: [2H]C([2H])([2H])[N+]([O-])=O

PubChem CID 123293
CAS 13031-32-8
Molecular Weight (g/mol) 64.06
MDL Number MFCD00044214
SMILES [2H]C([2H])([2H])[N+]([O-])=O
Synonym nitromethane-d3,nitro 2h3 methane,nitro 2 h? methane,nitromethane-d3, 99 atom % d,methane-d3, nitro,cd3no2,trideuteronitromethane,methane-d3-, nitro,nitromethane-d3, ≥99 atom % d, contains 1 % v/v tms
IUPAC Name trideuterio(nitro)methane
InChI Key LYGJENNIWJXYER-FIBGUPNXSA-N
Molecular Formula CH3NO2
8

n-Octane-d{18}, 99% (Isotopic)

CAS: 17252-77-6 Molecular Formula: C8H18 Molecular Weight (g/mol): 132.342 MDL Number: MFCD00037626 InChI Key: TVMXDCGIABBOFY-VAZJTQEUSA-N Synonym: octane-d18,2h18 octane,n-octane-d18,2 h?? octane,octane-d18, 98 atom % d,n-octane-d isotopic 1g PubChem CID: 519375 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane SMILES: CCCCCCCC

PubChem CID 519375
CAS 17252-77-6
Molecular Weight (g/mol) 132.342
MDL Number MFCD00037626
SMILES CCCCCCCC
Synonym octane-d18,2h18 octane,n-octane-d18,2 h?? octane,octane-d18, 98 atom % d,n-octane-d isotopic 1g
IUPAC Name 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane
InChI Key TVMXDCGIABBOFY-VAZJTQEUSA-N
Molecular Formula C8H18
9

2-Propanol-d{8}, 99%(Isotopic)

CAS: 22739-76-0 Molecular Formula: C3H8O Molecular Weight (g/mol): 68.15 MDL Number: MFCD00044341 InChI Key: KFZMGEQAYNKOFK-PIODKIDGSA-N Synonym: 2-propanol-d8,isopropanol-d8,2 h? propan-2-2 h ol,octadeuteroisopropanol,2h8-2-propanol,2-propan-1,1,1,2,3,3,3-d7-ol-d,2-propanol-d isotopic 1g,2-propanol-d8, 99.5 atom % d PubChem CID: 2723972 SMILES: [2H]OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

PubChem CID 2723972
CAS 22739-76-0
Molecular Weight (g/mol) 68.15
MDL Number MFCD00044341
SMILES [2H]OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Synonym 2-propanol-d8,isopropanol-d8,2 h? propan-2-2 h ol,octadeuteroisopropanol,2h8-2-propanol,2-propan-1,1,1,2,3,3,3-d7-ol-d,2-propanol-d isotopic 1g,2-propanol-d8, 99.5 atom % d
InChI Key KFZMGEQAYNKOFK-PIODKIDGSA-N
Molecular Formula C3H8O
10

2,2,2-Trifluoroethanol-d{3}, 99% (Isotopic)

CAS: 77253-67-9 Molecular Formula: C2H3F3O Molecular Weight (g/mol): 103.06 MDL Number: MFCD00037682 InChI Key: RHQDFWAXVIIEBN-IDPMSXFZSA-N Synonym: 2,2,2-trifluoroethanol-d3,1,1-2h2-2,2,2-trifluoroetane-1-2h ol,ethan-1,1-d2-ol-d, 2,2,2-trifluoro,trifluoro 2 h? ethan 2 h ol,2,2,2-trifluoroethanol-d3 >98 atom % d,2,2,2-trifluoroethanol-d3, ≥99.5 atom % d,2,2,2-trifluoroethanol-d3, 99 atom % d cp PubChem CID: 2724851 SMILES: [2H]OC([2H])([2H])C(F)(F)F

PubChem CID 2724851
CAS 77253-67-9
Molecular Weight (g/mol) 103.06
MDL Number MFCD00037682
SMILES [2H]OC([2H])([2H])C(F)(F)F
Synonym 2,2,2-trifluoroethanol-d3,1,1-2h2-2,2,2-trifluoroetane-1-2h ol,ethan-1,1-d2-ol-d, 2,2,2-trifluoro,trifluoro 2 h? ethan 2 h ol,2,2,2-trifluoroethanol-d3 >98 atom % d,2,2,2-trifluoroethanol-d3, ≥99.5 atom % d,2,2,2-trifluoroethanol-d3, 99 atom % d cp
InChI Key RHQDFWAXVIIEBN-IDPMSXFZSA-N
Molecular Formula C2H3F3O
11

1,2-Dibromoethane-d{4}, 99%(Isotopic)

CAS: 22581-63-1 Molecular Formula: C2H4Br2 Molecular Weight (g/mol): 191.886 MDL Number: MFCD00037499 InChI Key: PAAZPARNPHGIKF-LNLMKGTHSA-N Synonym: 1,2-dibromoethane-d4,1,2-dibromo-1,1,2,2-2h4 ethane,dibromo 2 h? ethane,dibromoethane-d4,ethane-d4, 1,2-dibromo,ethylene-d4 dibromide,2h4-edb,tetradeutero-1,2-dibromoethane,1,2-dibromoethane-d4, 99 atom % d,1,2-dibromoethane-d4 99.0 atom % d PubChem CID: 123404 IUPAC Name: 1,2-dibromo-1,1,2,2-tetradeuterioethane SMILES: C(CBr)Br

PubChem CID 123404
CAS 22581-63-1
Molecular Weight (g/mol) 191.886
MDL Number MFCD00037499
SMILES C(CBr)Br
Synonym 1,2-dibromoethane-d4,1,2-dibromo-1,1,2,2-2h4 ethane,dibromo 2 h? ethane,dibromoethane-d4,ethane-d4, 1,2-dibromo,ethylene-d4 dibromide,2h4-edb,tetradeutero-1,2-dibromoethane,1,2-dibromoethane-d4, 99 atom % d,1,2-dibromoethane-d4 99.0 atom % d
IUPAC Name 1,2-dibromo-1,1,2,2-tetradeuterioethane
InChI Key PAAZPARNPHGIKF-LNLMKGTHSA-N
Molecular Formula C2H4Br2
12

n-Hexane-d{14}, 99%(Isotopic)

CAS: 21666-38-6 Molecular Formula: C6H14 Molecular Weight (g/mol): 100.26 MDL Number: MFCD00037562 InChI Key: VLKZOEOYAKHREP-ZLKPZJALSA-N Synonym: hexane-d14,tetradecadeuterohexane,n-hexane-d 14,2h14 hexane,2 h?? hexane,hexane-d14, 99 atom % d PubChem CID: 140854 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

PubChem CID 140854
CAS 21666-38-6
Molecular Weight (g/mol) 100.26
MDL Number MFCD00037562
SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Synonym hexane-d14,tetradecadeuterohexane,n-hexane-d 14,2h14 hexane,2 h?? hexane,hexane-d14, 99 atom % d
IUPAC Name 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
InChI Key VLKZOEOYAKHREP-ZLKPZJALSA-N
Molecular Formula C6H14
13

1,2-Dichloroethane-d{4}, 99% (Isotopic)

CAS: 17060-07-0 Molecular Formula: C2H4Cl2 Molecular Weight (g/mol): 102.978 MDL Number: MFCD00037531 InChI Key: WSLDOOZREJYCGB-LNLMKGTHSA-N Synonym: 1,2-dichloroethane-d4,1,2-dichloroethane d4,ethylene-d4 dichloride,dichloro 2 h? ethane,1,2-dichloroethane-d4, 99 atom % d,1,2-dichloroethane-d4 98.0 atom % d,1,2-dichloroethane-d4, analytical standard,1,2-dichloroethane d4 2000 ng/microl in methanol PubChem CID: 12197860 IUPAC Name: 1,2-dichloro-1,1,2,2-tetradeuterioethane SMILES: C(CCl)Cl

PubChem CID 12197860
CAS 17060-07-0
Molecular Weight (g/mol) 102.978
MDL Number MFCD00037531
SMILES C(CCl)Cl
Synonym 1,2-dichloroethane-d4,1,2-dichloroethane d4,ethylene-d4 dichloride,dichloro 2 h? ethane,1,2-dichloroethane-d4, 99 atom % d,1,2-dichloroethane-d4 98.0 atom % d,1,2-dichloroethane-d4, analytical standard,1,2-dichloroethane d4 2000 ng/microl in methanol
IUPAC Name 1,2-dichloro-1,1,2,2-tetradeuterioethane
InChI Key WSLDOOZREJYCGB-LNLMKGTHSA-N
Molecular Formula C2H4Cl2
14

Ethanol-d{6}, anhydrous, 99+% (Isotopic)

CAS: 1516-08-1 Molecular Formula: C2H6O Molecular Weight (g/mol): 52.106 MDL Number: MFCD00051020 InChI Key: LFQSCWFLJHTTHZ-LIDOUZCJSA-N Synonym: ethanol-d6,2h6 ethanol,hexadeuteroethanol,2 h? ethan 2 h ol,ethyl-d5 alcohol-d,ethyl alcohol-d6,ethanol d,ethanol-d6 9ci PubChem CID: 102138 IUPAC Name: 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane SMILES: CCO

PubChem CID 102138
CAS 1516-08-1
Molecular Weight (g/mol) 52.106
MDL Number MFCD00051020
SMILES CCO
Synonym ethanol-d6,2h6 ethanol,hexadeuteroethanol,2 h? ethan 2 h ol,ethyl-d5 alcohol-d,ethyl alcohol-d6,ethanol d,ethanol-d6 9ci
IUPAC Name 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane
InChI Key LFQSCWFLJHTTHZ-LIDOUZCJSA-N
Molecular Formula C2H6O
15

Dichloromethane-d2, 100% (Isotopic), Thermo Scientific Chemicals

CAS: 1665-00-5 Molecular Formula: CH2Cl2 Molecular Weight (g/mol): 86.939 MDL Number: MFCD00000882 InChI Key: YMWUJEATGCHHMB-DICFDUPASA-N Synonym: dichloromethane-d2,methylene chloride-d2,dichloro 2h2 methane,methane-d2, dichloro,cd2cl2,deuterated dichloromethane,dichloro dideuterio methane,dideuteromethylene chloride,dichloromethane-d2, 99.9 atom % d,dichloromethane-d', 99.96 atom % d PubChem CID: 160586 IUPAC Name: dichloro(dideuterio)methane SMILES: C(Cl)Cl

PubChem CID 160586
CAS 1665-00-5
Molecular Weight (g/mol) 86.939
MDL Number MFCD00000882
SMILES C(Cl)Cl
Synonym dichloromethane-d2,methylene chloride-d2,dichloro 2h2 methane,methane-d2, dichloro,cd2cl2,deuterated dichloromethane,dichloro dideuterio methane,dideuteromethylene chloride,dichloromethane-d2, 99.9 atom % d,dichloromethane-d', 99.96 atom % d
IUPAC Name dichloro(dideuterio)methane
InChI Key YMWUJEATGCHHMB-DICFDUPASA-N
Molecular Formula CH2Cl2