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Organic cations

Organic compounds that contain a carbon backbone with a net positive charge.

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1

Decacarbonyldirhenium, 96%, Thermo Scientific Chemicals

CAS: 14285-68-8 Molecular Formula: C10O10Re2 Molecular Weight (g/mol): 652.51 MDL Number: MFCD00011198 InChI Key: ZIZHEHXAMPQGEK-UHFFFAOYSA-N Synonym: carbon monoxide; rhenium 2+,decacarbonyldirhenium 250mg PubChem CID: 498777 SMILES: [O]#C[Re](C#[O])(C#[O])(C#[O])(C#[O])[Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O]

PubChem CID 498777
CAS 14285-68-8
Molecular Weight (g/mol) 652.51
MDL Number MFCD00011198
SMILES [O]#C[Re](C#[O])(C#[O])(C#[O])(C#[O])[Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Synonym carbon monoxide; rhenium 2+,decacarbonyldirhenium 250mg
InChI Key ZIZHEHXAMPQGEK-UHFFFAOYSA-N
Molecular Formula C10O10Re2
2

PyOxim, 97%, Thermo Scientific™

CAS: 153433-21-7 Molecular Formula: C17H29F6N5O3P2 Molecular Weight (g/mol): 527.39 MDL Number: MFCD18643381 InChI Key: RDWDVLFMPFUBDV-UHFFFAOYSA-N Synonym: pyoxim,pyoxime,ethyl cyano hydroxyimino acetato-tri-1-pyrrolidinyl-phosphonium hexafluorophosphate,cyano-ethoxycarbonyl methyleneaminooxy tris 1-pyrrolidinyl phosphonium hexafluorophosphate PubChem CID: 46910530 IUPAC Name: [(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium;hexafluorophosphate SMILES: F[P-](F)(F)(F)(F)F.CCOC(=O)C(=NO[P+](N1CCCC1)(N1CCCC1)N1CCCC1)C#N

PubChem CID 46910530
CAS 153433-21-7
Molecular Weight (g/mol) 527.39
MDL Number MFCD18643381
SMILES F[P-](F)(F)(F)(F)F.CCOC(=O)C(=NO[P+](N1CCCC1)(N1CCCC1)N1CCCC1)C#N
Synonym pyoxim,pyoxime,ethyl cyano hydroxyimino acetato-tri-1-pyrrolidinyl-phosphonium hexafluorophosphate,cyano-ethoxycarbonyl methyleneaminooxy tris 1-pyrrolidinyl phosphonium hexafluorophosphate
IUPAC Name [(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium;hexafluorophosphate
InChI Key RDWDVLFMPFUBDV-UHFFFAOYSA-N
Molecular Formula C17H29F6N5O3P2
3

4-Bromo-2,6-dinitrotoluene, 97%, Thermo Scientific™

CAS: 95192-64-6 Molecular Formula: C7H5BrN2O4 Molecular Weight (g/mol): 261.03 InChI Key: UOGCLPDKGPPDHM-UHFFFAOYSA-N Synonym: 4-bromo-2,6-dinitrotoluene,5-bromo-1,3-dinitro-2-methylbenzene,5-bromo-2-methyl-1,3-dinitro-benzene,benzene, 5-bromo-2-methyl-1,3-dinitro,2,6-dinitro-4-bromo-tolurene,5-bromanyl-2-methyl-1,3-dinitro-benzene PubChem CID: 13443186 IUPAC Name: 5-bromo-2-methyl-1,3-dinitrobenzene SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])Br)[N+](=O)[O-]

PubChem CID 13443186
CAS 95192-64-6
Molecular Weight (g/mol) 261.03
SMILES CC1=C(C=C(C=C1[N+](=O)[O-])Br)[N+](=O)[O-]
Synonym 4-bromo-2,6-dinitrotoluene,5-bromo-1,3-dinitro-2-methylbenzene,5-bromo-2-methyl-1,3-dinitro-benzene,benzene, 5-bromo-2-methyl-1,3-dinitro,2,6-dinitro-4-bromo-tolurene,5-bromanyl-2-methyl-1,3-dinitro-benzene
IUPAC Name 5-bromo-2-methyl-1,3-dinitrobenzene
InChI Key UOGCLPDKGPPDHM-UHFFFAOYSA-N
Molecular Formula C7H5BrN2O4
4

2,4-Difluoro-3-nitrobenzonitrile, 97%, Thermo Scientific Chemicals

CAS: 1186194-75-1 Molecular Formula: C7H2F2N2O2 Molecular Weight (g/mol): 184.1 InChI Key: HESWWHRCQMLPFT-UHFFFAOYSA-N Synonym: 3-nitro-2,4-difluoro-benzonitrile PubChem CID: 45790497 IUPAC Name: 2,4-difluoro-3-nitrobenzonitrile SMILES: C1=CC(=C(C(=C1C#N)F)[N+](=O)[O-])F

PubChem CID 45790497
CAS 1186194-75-1
Molecular Weight (g/mol) 184.1
SMILES C1=CC(=C(C(=C1C#N)F)[N+](=O)[O-])F
Synonym 3-nitro-2,4-difluoro-benzonitrile
IUPAC Name 2,4-difluoro-3-nitrobenzonitrile
InChI Key HESWWHRCQMLPFT-UHFFFAOYSA-N
Molecular Formula C7H2F2N2O2
5

Di-tert-butylphenylphosphonium tetrafluoroborate, 99%, Thermo Scientific Chemicals

CAS: 612088-55-8 Molecular Formula: C14H24BF4P Molecular Weight (g/mol): 310.12 MDL Number: MFCD08704553 InChI Key: HRDPEVWZXUWEFR-UHFFFAOYSA-O Synonym: di-tert-butylphenylphosphonium tetrafluoroborate,di-tert-butyl phenyl phosphonium tetrafluoroborate,di-tert-butyl phenyl phosphanium tetrafluoroborate,acmc-20al46,di tert-butyl phenylphosphonium tetrafluoroborate PubChem CID: 11220595 IUPAC Name: ditert-butyl(phenyl)phosphanium;tetrafluoroborate SMILES: F[B-](F)(F)F.CC(C)(C)[PH+](C1=CC=CC=C1)C(C)(C)C

PubChem CID 11220595
CAS 612088-55-8
Molecular Weight (g/mol) 310.12
MDL Number MFCD08704553
SMILES F[B-](F)(F)F.CC(C)(C)[PH+](C1=CC=CC=C1)C(C)(C)C
Synonym di-tert-butylphenylphosphonium tetrafluoroborate,di-tert-butyl phenyl phosphonium tetrafluoroborate,di-tert-butyl phenyl phosphanium tetrafluoroborate,acmc-20al46,di tert-butyl phenylphosphonium tetrafluoroborate
IUPAC Name ditert-butyl(phenyl)phosphanium;tetrafluoroborate
InChI Key HRDPEVWZXUWEFR-UHFFFAOYSA-O
Molecular Formula C14H24BF4P
6

2,6-Dichloro-3-nitrobenzonitrile, 98%, Thermo Scientific Chemicals

CAS: 5866-98-8 Molecular Formula: C7H2Cl2N2O2 Molecular Weight (g/mol): 217.005 MDL Number: MFCD00051513 InChI Key: NSKVWZIEYFSHIM-UHFFFAOYSA-N Synonym: 2,6-dichloro-3-nitrobenzenecarbonitrile,benzonitrile, 2,6-dichloro-3-nitro,acmc-1ala2,dichloronitrobenzenecarbonitrile,2,6-dichloro-3-nitorbenzonitirle,2,6-bis chloranyl-3-nitro-benzenecarbonitrile PubChem CID: 4461932 IUPAC Name: 2,6-dichloro-3-nitrobenzonitrile SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])Cl)C#N)Cl

PubChem CID 4461932
CAS 5866-98-8
Molecular Weight (g/mol) 217.005
MDL Number MFCD00051513
SMILES C1=CC(=C(C(=C1[N+](=O)[O-])Cl)C#N)Cl
Synonym 2,6-dichloro-3-nitrobenzenecarbonitrile,benzonitrile, 2,6-dichloro-3-nitro,acmc-1ala2,dichloronitrobenzenecarbonitrile,2,6-dichloro-3-nitorbenzonitirle,2,6-bis chloranyl-3-nitro-benzenecarbonitrile
IUPAC Name 2,6-dichloro-3-nitrobenzonitrile
InChI Key NSKVWZIEYFSHIM-UHFFFAOYSA-N
Molecular Formula C7H2Cl2N2O2
7

Dichloro[bis(1,3-diphenylphosphino)propane]palladium(II), Thermo Scientific Chemicals

CAS: 59831-02-6 Molecular Formula: C27H26Cl2P2Pd Molecular Weight (g/mol): 589.77 MDL Number: MFCD03844773 InChI Key: LDFBXJODFADZBN-UHFFFAOYSA-L Synonym: [1,3-Bis(diphenylphosphino)propane]dichloropalladium(II) PubChem CID: 131664225 IUPAC Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);dihydrochloride SMILES: [Cl-].[Cl-].[Pd++].C(CP(C1=CC=CC=C1)C1=CC=CC=C1)CP(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 131664225
CAS 59831-02-6
Molecular Weight (g/mol) 589.77
MDL Number MFCD03844773
SMILES [Cl-].[Cl-].[Pd++].C(CP(C1=CC=CC=C1)C1=CC=CC=C1)CP(C1=CC=CC=C1)C1=CC=CC=C1
Synonym [1,3-Bis(diphenylphosphino)propane]dichloropalladium(II)
IUPAC Name 3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);dihydrochloride
InChI Key LDFBXJODFADZBN-UHFFFAOYSA-L
Molecular Formula C27H26Cl2P2Pd
8

Thermo Scientific Chemicals Burgess Reagent, 96%

CAS: 29684-56-8 Molecular Formula: C8H18N2O4S Molecular Weight (g/mol): 238.30 MDL Number: MFCD00077815 InChI Key: YSHOWEKUVWPFNR-UHFFFAOYSA-N Synonym: methoxycarbonylsulfamoyl triethylammonium hydroxide,burgess reagent,carbomethoxysulfamoyltriethylammonium hydroxide,methoxycarbonylsulfamoyltriethylammonium hydroxide,methoxycarbonylsulphamoyltriethylammonium hydroxide,methoxy-carbonylsulfamoyltriethylammonium hydroxide,methoxycarbonylsulfa-moyl-triethylammonium hydroxide,methoxycarbonylsulphamoyl-triethylammonium hydroxide PubChem CID: 11032497 SMILES: CC[N+](CC)(CC)S(=O)(=O)[N-]C(=O)OC

PubChem CID 11032497
CAS 29684-56-8
Molecular Weight (g/mol) 238.30
MDL Number MFCD00077815
SMILES CC[N+](CC)(CC)S(=O)(=O)[N-]C(=O)OC
Synonym methoxycarbonylsulfamoyl triethylammonium hydroxide,burgess reagent,carbomethoxysulfamoyltriethylammonium hydroxide,methoxycarbonylsulfamoyltriethylammonium hydroxide,methoxycarbonylsulphamoyltriethylammonium hydroxide,methoxy-carbonylsulfamoyltriethylammonium hydroxide,methoxycarbonylsulfa-moyl-triethylammonium hydroxide,methoxycarbonylsulphamoyl-triethylammonium hydroxide
InChI Key YSHOWEKUVWPFNR-UHFFFAOYSA-N
Molecular Formula C8H18N2O4S
9

Ammonium tetraphenylborate, 99%, Thermo Scientific™

CAS: 14637-34-4 Molecular Formula: C24H24BN Molecular Weight (g/mol): 337.273 MDL Number: MFCD00134523 InChI Key: ZWFYDLYRTYMBIL-UHFFFAOYSA-O Synonym: ammonium tetraphenylborate,tetraphenylboron ammonium,ammonium tetraphenylborate 1- PubChem CID: 14496924 IUPAC Name: azanium;tetraphenylboranuide SMILES: [B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[NH4+]

PubChem CID 14496924
CAS 14637-34-4
Molecular Weight (g/mol) 337.273
MDL Number MFCD00134523
SMILES [B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[NH4+]
Synonym ammonium tetraphenylborate,tetraphenylboron ammonium,ammonium tetraphenylborate 1-
IUPAC Name azanium;tetraphenylboranuide
InChI Key ZWFYDLYRTYMBIL-UHFFFAOYSA-O
Molecular Formula C24H24BN
10

(Ethyl benzoate)tricarbonylchromium, 98%, Thermo Scientific™

CAS: 32874-26-3 Molecular Formula: C12H10CrO5 Molecular Weight (g/mol): 286.203 MDL Number: MFCD02683559 InChI Key: SWSAJUVURPSGIG-UHFFFAOYSA-N Synonym: ethyl benzoate tricarbonylchromium,ethyl benzoate tricarbonylchromium 0,tris carbon monoxide ethyl benzoate chromium PubChem CID: 13222494 IUPAC Name: carbon monoxide;chromium;ethyl benzoate SMILES: CCOC(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

PubChem CID 13222494
CAS 32874-26-3
Molecular Weight (g/mol) 286.203
MDL Number MFCD02683559
SMILES CCOC(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
Synonym ethyl benzoate tricarbonylchromium,ethyl benzoate tricarbonylchromium 0,tris carbon monoxide ethyl benzoate chromium
IUPAC Name carbon monoxide;chromium;ethyl benzoate
InChI Key SWSAJUVURPSGIG-UHFFFAOYSA-N
Molecular Formula C12H10CrO5
11

Bromotris(dimethylamino)phosphonium hexafluorophosphate, 98%, Thermo Scientific™

CAS: 50296-37-2 Molecular Formula: C6H18BrF6N3P2 Molecular Weight (g/mol): 388.07 MDL Number: MFCD00191864 InChI Key: XELPBWPBGHCIKX-UHFFFAOYSA-N Synonym: bromotris dimethylamino phosphonium hexafluorophosphate,brop,bromotris dimethylamino phosphonium hexafluorophosphate v,bromo-tris dimethylamino phosphonium hexafluorophosphate,acmc-20aljt,ksc269e9j,bromotris dimethylamino phosphonium hexafluorophos,bromotris dimethylamino phosphoniumhexafluorophosphate,bromanyl-tris dimethylamino phosphanium hexafluorophosphate PubChem CID: 10221847 IUPAC Name: bromo-tris(dimethylamino)phosphanium;hexafluorophosphate SMILES: F[P-](F)(F)(F)(F)F.CN(C)[P+](Br)(N(C)C)N(C)C

PubChem CID 10221847
CAS 50296-37-2
Molecular Weight (g/mol) 388.07
MDL Number MFCD00191864
SMILES F[P-](F)(F)(F)(F)F.CN(C)[P+](Br)(N(C)C)N(C)C
Synonym bromotris dimethylamino phosphonium hexafluorophosphate,brop,bromotris dimethylamino phosphonium hexafluorophosphate v,bromo-tris dimethylamino phosphonium hexafluorophosphate,acmc-20aljt,ksc269e9j,bromotris dimethylamino phosphonium hexafluorophos,bromotris dimethylamino phosphoniumhexafluorophosphate,bromanyl-tris dimethylamino phosphanium hexafluorophosphate
IUPAC Name bromo-tris(dimethylamino)phosphanium;hexafluorophosphate
InChI Key XELPBWPBGHCIKX-UHFFFAOYSA-N
Molecular Formula C6H18BrF6N3P2
12

1,3-Dibromo-4-nitrobenzene, 98%, Thermo Scientific™

CAS: 51686-78-3 Molecular Formula: C6H3Br2NO2 Molecular Weight (g/mol): 280.903 MDL Number: MFCD02660416 InChI Key: DXRVYZGVVFZCFP-UHFFFAOYSA-N PubChem CID: 12315646 IUPAC Name: 2,4-dibromo-1-nitrobenzene SMILES: C1=CC(=C(C=C1Br)Br)[N+](=O)[O-]

PubChem CID 12315646
CAS 51686-78-3
Molecular Weight (g/mol) 280.903
MDL Number MFCD02660416
SMILES C1=CC(=C(C=C1Br)Br)[N+](=O)[O-]
IUPAC Name 2,4-dibromo-1-nitrobenzene
InChI Key DXRVYZGVVFZCFP-UHFFFAOYSA-N
Molecular Formula C6H3Br2NO2
13

3-Bromo-7-nitroindole, 97%, Thermo Scientific™

CAS: 397864-11-8 Molecular Formula: C8H5BrN2O2 Molecular Weight (g/mol): 241.044 MDL Number: MFCD02684155 InChI Key: ZJCDMQUXOJHHBJ-UHFFFAOYSA-N PubChem CID: 17750599 IUPAC Name: 3-bromo-7-nitro-1H-indole SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2Br

PubChem CID 17750599
CAS 397864-11-8
Molecular Weight (g/mol) 241.044
MDL Number MFCD02684155
SMILES C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2Br
IUPAC Name 3-bromo-7-nitro-1H-indole
InChI Key ZJCDMQUXOJHHBJ-UHFFFAOYSA-N
Molecular Formula C8H5BrN2O2
14

2-Bromo-5-nitrobenzonitrile, 97%, Thermo Scientific™

CAS: 134604-07-2 Molecular Formula: C7H3BrN2O2 Molecular Weight (g/mol): 227.017 MDL Number: MFCD00234249 InChI Key: RKODNVITKISFKU-UHFFFAOYSA-N Synonym: 1-cyano-2-bromo-5-nitrobenzene,2-bromo-1-cyano-5-nitrobenzene,benzonitrile, 2-bromo-5-nitro,2-bromo-5-nitro-benzonitrile,acmc-209bwc,bromo-5-nitrobenzonitrile,2-bromo-5-nitrobenzo nitrile,ksc494g7d,2-bromo-5-ni tro-benzonitrile,2-bromo-5-nitrobenzenecarbonitrile PubChem CID: 7095423 IUPAC Name: 2-bromo-5-nitrobenzonitrile SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)Br

PubChem CID 7095423
CAS 134604-07-2
Molecular Weight (g/mol) 227.017
MDL Number MFCD00234249
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C#N)Br
Synonym 1-cyano-2-bromo-5-nitrobenzene,2-bromo-1-cyano-5-nitrobenzene,benzonitrile, 2-bromo-5-nitro,2-bromo-5-nitro-benzonitrile,acmc-209bwc,bromo-5-nitrobenzonitrile,2-bromo-5-nitrobenzo nitrile,ksc494g7d,2-bromo-5-ni tro-benzonitrile,2-bromo-5-nitrobenzenecarbonitrile
IUPAC Name 2-bromo-5-nitrobenzonitrile
InChI Key RKODNVITKISFKU-UHFFFAOYSA-N
Molecular Formula C7H3BrN2O2
15

4-Ethoxy-3-nitropyridine hydrochloride, 97%, Thermo Scientific™

CAS: 94602-04-7 Molecular Formula: C7H9ClN2O3 Molecular Weight (g/mol): 204.61 MDL Number: MFCD01075663 InChI Key: HNMWMLXQJBWURC-UHFFFAOYSA-N Synonym: 4-ethoxy-3-nitropyridine hydrochloride,3-nitro-4-ethoxypyridine hydrochloride,4-ethoxy-3-nitro-pyridine hydrochloride,4-ethoxy-3-nitropyridine hydrogen chloride,pyridine, 4-ethoxy-3-nitro-, monohydrochloride,4-ethoxy-3-nitropyridinehydrochloride,pubchem6674,labotest-bb lt00454779,4-ethoxy-3-nitropyridine hcl,ksc496g1h PubChem CID: 12407497 IUPAC Name: 4-ethoxy-3-nitropyridine;hydrochloride SMILES: CCOC1=C(C=NC=C1)[N+](=O)[O-].Cl

PubChem CID 12407497
CAS 94602-04-7
Molecular Weight (g/mol) 204.61
MDL Number MFCD01075663
SMILES CCOC1=C(C=NC=C1)[N+](=O)[O-].Cl
Synonym 4-ethoxy-3-nitropyridine hydrochloride,3-nitro-4-ethoxypyridine hydrochloride,4-ethoxy-3-nitro-pyridine hydrochloride,4-ethoxy-3-nitropyridine hydrogen chloride,pyridine, 4-ethoxy-3-nitro-, monohydrochloride,4-ethoxy-3-nitropyridinehydrochloride,pubchem6674,labotest-bb lt00454779,4-ethoxy-3-nitropyridine hcl,ksc496g1h
IUPAC Name 4-ethoxy-3-nitropyridine;hydrochloride
InChI Key HNMWMLXQJBWURC-UHFFFAOYSA-N
Molecular Formula C7H9ClN2O3