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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

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

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
3

Orbifloxacin-d4, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Percent Purity >95% (HPLC)
Molecular Weight (g/mol) 399.4
InChI Formula InChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+/i3D2,4D2
Chemical Name or Material Orbifloxacin-d4
SMILES [2H]C1([2H])C(N2C=C(C(=O)O)C(=O)c3c(F)c(F)c(N4C[C@@H](C)N[C@@H](C)C4)c(F)c23)C1([2H])[2H]
Synonym rel-1-Cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic-d4 Acid,cis-1-Cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-5,6,8-trifluoro-1,4-dihydro-4-oxo-3-Quinolinecarboxylic-d4 Acid,CP 104354-d4,Orbax-d4;
Recommended Storage +4°C
IUPAC Name 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxo-1-(2,2,3,3-tetradeuteriocyclopropyl)quinoline-3-carboxylic acid
Molecular Formula C19 D4 H16 F3 N3 O3
Formula Weight 399.171 g/mol
4

2,2,2-Trifluoroethanol-d3, 100%(Isotopic), Thermo Scientific™

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 IUPAC Name: 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane 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
IUPAC Name 1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane
InChI Key RHQDFWAXVIIEBN-IDPMSXFZSA-N
Molecular Formula C2H3F3O