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Isotopisk mærkede forbindelser

Kemikalier, hvortil der er knyttet isotoper for at mærke specifikke atomer. Isotopmærkede forbindelser er almindeligt anvendt i syntetisk kemi, karakteriseringsteknikker såsom NMR og biologi.

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1

Acetonitrile-d3, for NMR, 99.8 atom % D

CAS: 2206-26-0 Molekylvægt (g/mol): 44.07

Molekylvægt (g/mol) 44.07
CAS 2206-26-0
2

Tetrahydrofuran-D8, for NMR, 99.5 atom % D

CAS: 1693-74-9 Molekylær formel: C4H8O Molekylvægt (g/mol): 80.16 MDL nummer: MFCD00044238 InChI nøgle: WYURNTSHIVDZCO-SVYQBANQSA-N Synonym: tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4 PubChem CID: 80290 SMIL: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]

MDL nummer MFCD00044238
PubChem CID 80290
Molekylvægt (g/mol) 80.16
CAS 1693-74-9
Synonym tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4
SMIL [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChI nøgle WYURNTSHIVDZCO-SVYQBANQSA-N
Molekylær formel C4H8O
3

Chloroform-d, for NMR, 99,8 % atom D, Thermo Scientific Chemicals

CAS: 865-49-6 Molekylær formel: CHCl3 Molekylvægt (g/mol): 120.375 MDL nummer: MFCD00000827 InChI nøgle: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC navn: trichlor(deuterio)methan SMIL: C(Cl)(Cl)Cl

MDL nummer MFCD00000827
PubChem CID 71583
Molekylvægt (g/mol) 120.375
CAS 865-49-6
ChEBI CHEBI:85365
Synonym chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero
SMIL C(Cl)(Cl)Cl
IUPAC navn trichlor(deuterio)methan
InChI nøgle HEDRZPFGACZZDS-MICDWDOJSA-N
Molekylær formel CHCl3
4

Acetone-d6, for NMR, 99.5 atom % D

CAS: 666-52-4 Molekylær formel: C3H6O Molekylvægt (g/mol): 64.117 MDL nummer: MFCD00044635 InChI nøgle: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC navn: 1,1,1,3,3,3-hexadeuteriopropan-2-on SMIL: CC(=O)C

MDL nummer MFCD00044635
PubChem CID 522220
Molekylvægt (g/mol) 64.117
CAS 666-52-4
ChEBI CHEBI:78217
Synonym acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone
SMIL CC(=O)C
IUPAC navn 1,1,1,3,3,3-hexadeuteriopropan-2-on
InChI nøgle CSCPPACGZOOCGX-WFGJKAKNSA-N
Molekylær formel C3H6O
5

Isopropanol-d8, for NMR, +99 % atom D, Thermo Scientific Chemicals

CAS: 22739-76-0 Molekylær formel: C3H8O Molekylvægt (g/mol): 68.15 MDL nummer: MFCD00044341 InChI nøgle: 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 IUPAC navn: 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropan SMIL: [2H]OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

MDL nummer MFCD00044341
PubChem CID 2723972
Molekylvægt (g/mol) 68.15
CAS 22739-76-0
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
SMIL [2H]OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
IUPAC navn 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropan
InChI nøgle KFZMGEQAYNKOFK-PIODKIDGSA-N
Molekylær formel C3H8O
6

Acetone-d6, for NMR, +99 % atom D, Thermo Scientific Chemicals

CAS: 666-52-4 Molekylær formel: C3H6O Molekylvægt (g/mol): 64.117 MDL nummer: MFCD00044635 InChI nøgle: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC navn: 1,1,1,3,3,3-hexadeuteriopropan-2-on SMIL: CC(=O)C

MDL nummer MFCD00044635
PubChem CID 522220
Molekylvægt (g/mol) 64.117
CAS 666-52-4
ChEBI CHEBI:78217
Synonym acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone
SMIL CC(=O)C
IUPAC navn 1,1,1,3,3,3-hexadeuteriopropan-2-on
InChI nøgle CSCPPACGZOOCGX-WFGJKAKNSA-N
Molekylær formel C3H6O
7

n-Hexane-d14, for NMR, 99+ atom % D

CAS: 21666-38-6 Molekylær formel: C6H14 Molekylvægt (g/mol): 100.26 MDL nummer: MFCD00037562 InChI nøgle: 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 navn: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane SMIL: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

MDL nummer MFCD00037562
PubChem CID 140854
Molekylvægt (g/mol) 100.26
CAS 21666-38-6
Synonym hexane-d14,tetradecadeuterohexane,n-hexane-d 14,2h14 hexane,2 h?? hexane,hexane-d14, 99 atom % d
SMIL [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
IUPAC navn 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
InChI nøgle VLKZOEOYAKHREP-ZLKPZJALSA-N
Molekylær formel C6H14
8

Naphthalen-d8, for NMR, +98 % atom D, Thermo Scientific Chemicals

CAS: 1146-65-2 Molekylær formel: C10H8 Molekylvægt (g/mol): 136.22 MDL nummer: MFCD00001743 InChI nøgle: UFWIBTONFRDIAS-PGRXLJNUSA-N Synonym: naphthalene-d8,2h8 naphthalene,perdeuteronaphthalene,naphthalene d8,perdeuterated naphthalene,2 h? naphthalene,naphthalene-d8, analytical standard,naphthalene-d8 >98.0 atom % d,naphthalene d8 10 microg/ml in cyclohexane PubChem CID: 92148 IUPAC navn: 1,2,3,4,5,6,7,8-octadeuterionaphthalen SMIL: [2H]C1=C([2H])C2=C([2H])C([2H])=C([2H])C([2H])=C2C([2H])=C1[2H]

MDL nummer MFCD00001743
PubChem CID 92148
Molekylvægt (g/mol) 136.22
CAS 1146-65-2
Synonym naphthalene-d8,2h8 naphthalene,perdeuteronaphthalene,naphthalene d8,perdeuterated naphthalene,2 h? naphthalene,naphthalene-d8, analytical standard,naphthalene-d8 >98.0 atom % d,naphthalene d8 10 microg/ml in cyclohexane
SMIL [2H]C1=C([2H])C2=C([2H])C([2H])=C([2H])C([2H])=C2C([2H])=C1[2H]
IUPAC navn 1,2,3,4,5,6,7,8-octadeuterionaphthalen
InChI nøgle UFWIBTONFRDIAS-PGRXLJNUSA-N
Molekylær formel C10H8
9

Chloroform-d, for NMR, 99,6+ % atom D, Thermo Scientific Chemicals

CAS: 865-49-6 Molekylær formel: CHCl3 Molekylvægt (g/mol): 120.375 MDL nummer: MFCD00000827 InChI nøgle: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC navn: trichlor(deuterio)methan SMIL: C(Cl)(Cl)Cl

MDL nummer MFCD00000827
PubChem CID 71583
Molekylvægt (g/mol) 120.375
CAS 865-49-6
ChEBI CHEBI:85365
Synonym chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero
SMIL C(Cl)(Cl)Cl
IUPAC navn trichlor(deuterio)methan
InChI nøgle HEDRZPFGACZZDS-MICDWDOJSA-N
Molekylær formel CHCl3
10

Pyridine-d5, for NMR, with 0.03% TMS, 100.0 atom% D

CAS: 7291-22-7 Molekylær formel: C5H5N Molekylvægt (g/mol): 84.13 MDL nummer: MFCD00044639 InChI nøgle: JUJWROOIHBZHMG-RALIUCGRSA-N Synonym: pyridine-d5,2h5 pyridine,c5d5n,2 h? pyridine,pyridine d5,pyridine,crude,light,pyridine, perdeutero,∼2∼h_5_ pyridine,de85c PubChem CID: 558519 IUPAC navn: 2,3,4,5,6-pentadeuteriopyridin SMIL: [2H]C1=NC([2H])=C([2H])C([2H])=C1[2H]

MDL nummer MFCD00044639
PubChem CID 558519
Molekylvægt (g/mol) 84.13
CAS 7291-22-7
Synonym pyridine-d5,2h5 pyridine,c5d5n,2 h? pyridine,pyridine d5,pyridine,crude,light,pyridine, perdeutero,∼2∼h_5_ pyridine,de85c
SMIL [2H]C1=NC([2H])=C([2H])C([2H])=C1[2H]
IUPAC navn 2,3,4,5,6-pentadeuteriopyridin
InChI nøgle JUJWROOIHBZHMG-RALIUCGRSA-N
Molekylær formel C5H5N
11

Chloroform-d, for NMR, 100,0 % atom D, Thermo Scientific Chemicals

CAS: 865-49-6 Molekylær formel: CHCl3 Molekylvægt (g/mol): 120.375 MDL nummer: MFCD00000827 InChI nøgle: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC navn: trichlor(deuterio)methan SMIL: C(Cl)(Cl)Cl

MDL nummer MFCD00000827
PubChem CID 71583
Molekylvægt (g/mol) 120.375
CAS 865-49-6
ChEBI CHEBI:85365
Synonym chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero
SMIL C(Cl)(Cl)Cl
IUPAC navn trichlor(deuterio)methan
InChI nøgle HEDRZPFGACZZDS-MICDWDOJSA-N
Molekylær formel CHCl3
12

Eddikesyre-d, for NMR, 98 % atom D, Thermo Scientific Chemicals

CAS: 758-12-3 Molekylær formel: C2H4O2 Molekylvægt (g/mol): 61.058 MDL nummer: MFCD00051050 InChI nøgle: 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 navn: deuterioacetat SMIL: CC(=O)O

MDL nummer MFCD00051050
PubChem CID 2723902
Molekylvægt (g/mol) 61.058
CAS 758-12-3
Synonym acetic acid-d,acetic acid-d1,monodeuteroacetic acid,acetic 2h acid,acetic acid-od,o-2h acetic acid,mono-deuteroacetic acid,ch3cood
SMIL CC(=O)O
IUPAC navn deuterioacetat
InChI nøgle QTBSBXVTEAMEQO-DYCDLGHISA-N
Molekylær formel C2H4O2
13

Toluen-d8, for NMR, +99 % atom D, Thermo Scientific Chemicals

CAS: 2037-26-5 Molekylær formel: C7H8 Molekylvægt (g/mol): 100.19 MDL nummer: MFCD00044638 InChI nøgle: YXFVVABEGXRONW-JGUCLWPXSA-N Synonym: toluene-d8,2h8 toluene,perdeuteriotoluene,benzene-d5, methyl-d3,perdeuterotoluene,benzene-d5-, methyl-d3,1,2,3,4,5-pentadeuterio-6-trideuteriomethyl benzene,toluene d8,toluene-d8, 99 atom % d,toluene-d8, 99.6 atom % d PubChem CID: 74861 IUPAC navn: 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzen SMIL: CC1=CC=CC=C1

MDL nummer MFCD00044638
PubChem CID 74861
Molekylvægt (g/mol) 100.19
CAS 2037-26-5
Synonym toluene-d8,2h8 toluene,perdeuteriotoluene,benzene-d5, methyl-d3,perdeuterotoluene,benzene-d5-, methyl-d3,1,2,3,4,5-pentadeuterio-6-trideuteriomethyl benzene,toluene d8,toluene-d8, 99 atom % d,toluene-d8, 99.6 atom % d
SMIL CC1=CC=CC=C1
IUPAC navn 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzen
InChI nøgle YXFVVABEGXRONW-JGUCLWPXSA-N
Molekylær formel C7H8
14

Eddikesyre-d3-syre-d, for NMR, 99,5 % atom D, Thermo Scientific Chemicals

CAS: 1186-52-3 Molekylær formel: C2H4O2 Molekylvægt (g/mol): 64.08 MDL nummer: MFCD00051051 InChI nøgle: 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 navn: deuterio 2,2,2-trideuterioacetat SMIL: [2H]OC(=O)C([2H])([2H])[2H]

MDL nummer MFCD00051051
PubChem CID 2723903
Molekylvægt (g/mol) 64.08
CAS 1186-52-3
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
SMIL [2H]OC(=O)C([2H])([2H])[2H]
IUPAC navn deuterio 2,2,2-trideuterioacetat
InChI nøgle QTBSBXVTEAMEQO-GUEYOVJQSA-N
Molekylær formel C2H4O2
15

Acetonitrile-d3, for NMR, contains 1 v/v% TMS, 99 atom % D

CAS: 2206-26-0 Molekylær formel: C2H3N Molekylvægt (g/mol): 44.07 MDL nummer: MFCD00001881 InChI nøgle: WEVYAHXRMPXWCK-FIBGUPNXSA-N Synonym: acetonitrile-d3,2h3 acetonitrile,cd3cn,acetonitrile-2,2,2-d3,methyl-d3 cyanide,trideuteroacetonitrile,acetonitrile-d3, 99.8 atom % d,acetonitrile-d3, ≥99.8 atom % d,acetonitrile-d isotopic 5g PubChem CID: 123151 IUPAC navn: 2,2,2-trideuterioacetonitril SMIL: [2H]C([2H])([2H])C#N

MDL nummer MFCD00001881
PubChem CID 123151
Molekylvægt (g/mol) 44.07
CAS 2206-26-0
Synonym acetonitrile-d3,2h3 acetonitrile,cd3cn,acetonitrile-2,2,2-d3,methyl-d3 cyanide,trideuteroacetonitrile,acetonitrile-d3, 99.8 atom % d,acetonitrile-d3, ≥99.8 atom % d,acetonitrile-d isotopic 5g
SMIL [2H]C([2H])([2H])C#N
IUPAC navn 2,2,2-trideuterioacetonitril
InChI nøgle WEVYAHXRMPXWCK-FIBGUPNXSA-N
Molekylær formel C2H3N