Isotopically Labeled Compounds

166 – 180 of 8,947 results

166

Chloroform-d, for NMR, 99.8% atom D, packaged in 1mL ampoules, Thermo Scientific Chemicals

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 MDL Number: MFCD00000827 InChI Key: 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 Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

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Specifications

PubChem CID	71583
CAS	865-49-6
Molecular Weight (g/mol)	120.375
ChEBI	CHEBI:85365
MDL Number	MFCD00000827
SMILES	C(Cl)(Cl)Cl
Synonym	chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero
IUPAC Name	trichloro(deuterio)methane
InChI Key	HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular Formula	CHCl3

167

Thermo Scientific Chemicals Dichloromethane-d2, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D

CAS: 1665-00-5 Molecular Formula: CH2Cl2 Molecular Weight (g/mol): 86.94 InChI Key: YMWUJEATGCHHMB-DICFDUPASA-N IUPAC Name: dichloro(²H₂)methane SMILES: [2H]C([2H])(Cl)Cl

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Specifications

CAS	1665-00-5
Molecular Weight (g/mol)	86.94
SMILES	[2H]C([2H])(Cl)Cl
IUPAC Name	dichloro(²H₂)methane
InChI Key	YMWUJEATGCHHMB-DICFDUPASA-N
Molecular Formula	CH2Cl2

168

Thermo Scientific Chemicals 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]

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Specifications

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

169

Styrene-d8, for NMR, 98+ atom% D, stabilized

CAS: 19361-62-7 Molecular Formula: C8H8 Molecular Weight (g/mol): 112.201 MDL Number: MFCD00044231 InChI Key: PPBRXRYQALVLMV-GDALLCCDSA-N Synonym: styrene-d8,2h8 styrene,perdeuteriostyrene,benzene-d5, ethenyl-d3,1,2,3,4,5-pentadeuterio-6-1,2,2-trideuterioethenyl benzene,benzene-1,2,3,4,5-d5, 6-ethenyl-1,2,2-d3,styrene d8,phenethylene-d8,phenylethene-d8,vinylbenzene-d8 PubChem CID: 88025 IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(1,2,2-trideuterioethenyl)benzene SMILES: C=CC1=CC=CC=C1

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Specifications

PubChem CID	88025
CAS	19361-62-7
Molecular Weight (g/mol)	112.201
MDL Number	MFCD00044231
SMILES	C=CC1=CC=CC=C1
Synonym	styrene-d8,2h8 styrene,perdeuteriostyrene,benzene-d5, ethenyl-d3,1,2,3,4,5-pentadeuterio-6-1,2,2-trideuterioethenyl benzene,benzene-1,2,3,4,5-d5, 6-ethenyl-1,2,2-d3,styrene d8,phenethylene-d8,phenylethene-d8,vinylbenzene-d8
IUPAC Name	1,2,3,4,5-pentadeuterio-6-(1,2,2-trideuterioethenyl)benzene
InChI Key	PPBRXRYQALVLMV-GDALLCCDSA-N
Molecular Formula	C8H8

170

Methanol-d4, for NMR, 99.8 atom% D, AcroSeal™

CAS: 811-98-3 Molecular Formula: CH4O Molecular Weight (g/mol): 36.066 MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: methanol-d4,perdeuteromethanol,tetradeuteromethanol,methan-d3-ol-d,2h4 methanol,methyl alcohol-d4,cd3od,methyl-d3 alcohol-d,trideuterio deuteriooxy methane,methanol-d4, 99.8 atom % d PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

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Specifications

PubChem CID	71568
CAS	811-98-3
Molecular Weight (g/mol)	36.066
MDL Number	MFCD00044637
SMILES	CO
Synonym	methanol-d4,perdeuteromethanol,tetradeuteromethanol,methan-d3-ol-d,2h4 methanol,methyl alcohol-d4,cd3od,methyl-d3 alcohol-d,trideuterio deuteriooxy methane,methanol-d4, 99.8 atom % d
IUPAC Name	trideuterio(deuteriooxy)methane
InChI Key	OKKJLVBELUTLKV-MZCSYVLQSA-N
Molecular Formula	CH4O

171

Bromobenzene-d5, for NMR, 99.5 atom% D

CAS: 4165-57-5 Molecular Formula: C6H5Br Molecular Weight (g/mol): 162.04 MDL Number: MFCD00000056 InChI Key: QARVLSVVCXYDNA-RALIUCGRSA-N IUPAC Name: 1-bromo(²H₅)benzene SMILES: [2H]C1=C([2H])C([2H])=C(Br)C([2H])=C1[2H]

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Specifications

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]
IUPAC Name	1-bromo(²H₅)benzene
InChI Key	QARVLSVVCXYDNA-RALIUCGRSA-N
Molecular Formula	C6H5Br

172

Nitromethane-d3, for NMR, 99 atom % D

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

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Specifications

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

173

Thermo Scientific Chemicals Chloroform-d, for NMR, 0.02-0.04v/v% TMS,in 0.75 ml amp.,99.8+ atom % D

CAS: 865-49-6 Molecular Formula: CCl₃D Molecular Weight (g/mol): 120.39

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Specifications

CAS	865-49-6
Molecular Weight (g/mol)	120.39
Molecular Formula	CCl₃D

174

Toluene-d8, for NMR, packaged in 0.75 ml ampoules, 99.8 atom % D

CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 InChI Key: YXFVVABEGXRONW-JGUCLWPXSA-N IUPAC Name: 1-(²H₃)methyl(²H₅)benzene SMILES: [2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C([2H])([2H])[2H]

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Specifications

CAS	2037-26-5
Molecular Weight (g/mol)	100.19
SMILES	[2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C([2H])([2H])[2H]
IUPAC Name	1-(²H₃)methyl(²H₅)benzene
InChI Key	YXFVVABEGXRONW-JGUCLWPXSA-N
Molecular Formula	C7H8

175

1,2-Dichlorobenzene-d4, for NMR, 98 atom% D

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]

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Specifications

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

176

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

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Specifications

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

177

Toluene-d8, 99.6%(Isotopic), Thermo Scientific Chemicals

CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 MDL Number: MFCD00044638 InChI Key: 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 Name: 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene SMILES: CC1=CC=CC=C1

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Specifications

PubChem CID	74861
CAS	2037-26-5
Molecular Weight (g/mol)	100.19
MDL Number	MFCD00044638
SMILES	CC1=CC=CC=C1
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
IUPAC Name	1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene
InChI Key	YXFVVABEGXRONW-JGUCLWPXSA-N
Molecular Formula	C7H8

178

Deuterium bromide, 48% w/w in D{2}O, 99+% (Isotopic)

CAS: 13536-59-9 Molecular Formula: BrH Molecular Weight (g/mol): 81.918 MDL Number: MFCD00044232 InChI Key: CPELXLSAUQHCOX-DYCDLGHISA-N Synonym: deuterium bromide,hydrobromic acid-d,deutero-bromide,dbr solution,deuterium bromide solution,bromo 2 h,deuterium bromide, 99 atom % d,deuterium bromide w/w in d2o,deuterium bromide 98.0atom%d in d2o,deuterium bromide solution, 47 wt. % in d2o, 99 atom % d PubChem CID: 518779 SMILES: Br

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Specifications

PubChem CID	518779
CAS	13536-59-9
Molecular Weight (g/mol)	81.918
MDL Number	MFCD00044232
SMILES	Br
Synonym	deuterium bromide,hydrobromic acid-d,deutero-bromide,dbr solution,deuterium bromide solution,bromo 2 h,deuterium bromide, 99 atom % d,deuterium bromide w/w in d2o,deuterium bromide 98.0atom%d in d2o,deuterium bromide solution, 47 wt. % in d2o, 99 atom % d
InChI Key	CPELXLSAUQHCOX-DYCDLGHISA-N
Molecular Formula	BrH

179

Deuterium chloride, for NMR, 1M solution in D2O, 99.8 atom% D, AcroSeal™

CAS: 7698-05-7 Molecular Formula: ClH Molecular Weight (g/mol): 36.46 MDL Number: MFCD00044642 InChI Key: VEXZGXHMUGYJMC-FTGQXOHASA-N Synonym: deuterium chloride,hydrochloric acid-d,deuterium chloride, 20 wt% in deuterium oxide,chlorohydrogen,hydrochloric acid d,chloro 2h,deuterium chloride, 99 atom % d,deuterium chloride, 1 m in deuterium oxide,deuterium chloride, 0.1 m in deuterium oxide,deuterium chloride, 38 wt% in deuterium oxide PubChem CID: 522634 SMILES: Cl

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Specifications

PubChem CID	522634
CAS	7698-05-7
Molecular Weight (g/mol)	36.46
MDL Number	MFCD00044642
SMILES	Cl
Synonym	deuterium chloride,hydrochloric acid-d,deuterium chloride, 20 wt% in deuterium oxide,chlorohydrogen,hydrochloric acid d,chloro 2h,deuterium chloride, 99 atom % d,deuterium chloride, 1 m in deuterium oxide,deuterium chloride, 0.1 m in deuterium oxide,deuterium chloride, 38 wt% in deuterium oxide
InChI Key	VEXZGXHMUGYJMC-FTGQXOHASA-N
Molecular Formula	ClH

180

PubChem CID	71583
CAS	865-49-6
Molecular Weight (g/mol)	120.375
ChEBI	CHEBI:85365
MDL Number	MFCD00000827
SMILES	C(Cl)(Cl)Cl
Synonym	chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero
IUPAC Name	trichloro(deuterio)methane
InChI Key	HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular Formula	CHCl3

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