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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (27)
Thiophenols (4)
Phenols (3)

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1 – 15 of 20 results
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p-Toluenesulfonic acid, sodium salt

CAS: 657-84-1 Molecular Formula: C7H7NaO3S Molecular Weight (g/mol): 194.18 MDL Number: MFCD00798566,MFCD00064388 InChI Key: KVCGISUBCHHTDD-UHFFFAOYSA-M Synonym: sodium p-toluenesulfonate,sodium 4-methylbenzenesulfonate,sodium tosylate,p-toluenesulfonic acid sodium salt,sodium toluenesulfonate,sodium toluenesulphonate,tosylate, sodium,naxonate hydrotrope,cyclophil sts 70,eltesol st 34 PubChem CID: 3720192 IUPAC Name: sodium;4-methylbenzenesulfonate SMILES: [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O

EDGE
PubChem CID 3720192
CAS 657-84-1
Molecular Weight (g/mol) 194.18
MDL Number MFCD00798566,MFCD00064388
SMILES [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O
Synonym sodium p-toluenesulfonate,sodium 4-methylbenzenesulfonate,sodium tosylate,p-toluenesulfonic acid sodium salt,sodium toluenesulfonate,sodium toluenesulphonate,tosylate, sodium,naxonate hydrotrope,cyclophil sts 70,eltesol st 34
IUPAC Name sodium;4-methylbenzenesulfonate
InChI Key KVCGISUBCHHTDD-UHFFFAOYSA-M
Molecular Formula C7H7NaO3S
6

Potassium 3-bromophenyltrifluoroborate, 97%

CAS: 374564-34-8 Molecular Formula: C6H4BBrF3K Molecular Weight (g/mol): 262.91 MDL Number: MFCD02093977 InChI Key: NIDYRVJZTADCGO-UHFFFAOYSA-N Synonym: potassium 3-bromophenyl trifluoroborate,potassium 3-bromophenyltrifluoroborate,potassium 3-bromophenyl trifluoroboranuide,amtb081,potassium 3-bromophenyl-trifluoroboranuide,potassium ion 3-bromophenyl trifluoroboranuide,potassium 3-bromophenyl trifluoro borate 1-,potassium 3-bromophenyl-tris fluoranyl boranuide PubChem CID: 23677642 IUPAC Name: potassium;(3-bromophenyl)-trifluoroboranuide SMILES: [K+].F[B-](F)(F)C1=CC(Br)=CC=C1

PubChem CID 23677642
CAS 374564-34-8
Molecular Weight (g/mol) 262.91
MDL Number MFCD02093977
SMILES [K+].F[B-](F)(F)C1=CC(Br)=CC=C1
Synonym potassium 3-bromophenyl trifluoroborate,potassium 3-bromophenyltrifluoroborate,potassium 3-bromophenyl trifluoroboranuide,amtb081,potassium 3-bromophenyl-trifluoroboranuide,potassium ion 3-bromophenyl trifluoroboranuide,potassium 3-bromophenyl trifluoro borate 1-,potassium 3-bromophenyl-tris fluoranyl boranuide
IUPAC Name potassium;(3-bromophenyl)-trifluoroboranuide
InChI Key NIDYRVJZTADCGO-UHFFFAOYSA-N
Molecular Formula C6H4BBrF3K
7

3,4-Dichlorophenol, 97%

CAS: 95-77-2 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002258 InChI Key: WDNBURPWRNALGP-UHFFFAOYSA-N PubChem CID: 7258 ChEBI: CHEBI:34323 IUPAC Name: 3,4-dichlorophenol SMILES: OC1=CC=C(Cl)C(Cl)=C1

PubChem CID 7258
CAS 95-77-2
Molecular Weight (g/mol) 163.00
ChEBI CHEBI:34323
MDL Number MFCD00002258
SMILES OC1=CC=C(Cl)C(Cl)=C1
IUPAC Name 3,4-dichlorophenol
InChI Key WDNBURPWRNALGP-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O
11

Potassium 3,5-difluorophenyltrifluoroborate, 96%, Thermo Scientific™

CAS: 267006-26-8 Molecular Formula: C6H3BF5K Molecular Weight (g/mol): 219.99 MDL Number: MFCD06659939 InChI Key: JFSPHPHYZHGKPO-UHFFFAOYSA-N Synonym: potassium 3,5-difluorophenyl trifluoroborate,potassium 3,5-difluorophenyl trifluoroboranuide,potassium 3,5-difluorophenyl trifluoro borate 1-,potassium 3,5-difluorophenyl-trifluoroboranuide,potassium ion 3,5-difluorophenyl trifluoroboranuide,potassium 3,5-bis fluoranyl phenyl-tris fluoranyl boranuide PubChem CID: 23681893 IUPAC Name: potassium;(3,5-difluorophenyl)-trifluoroboranuide SMILES: [B-](C1=CC(=CC(=C1)F)F)(F)(F)F.[K+]

PubChem CID 23681893
CAS 267006-26-8
Molecular Weight (g/mol) 219.99
MDL Number MFCD06659939
SMILES [B-](C1=CC(=CC(=C1)F)F)(F)(F)F.[K+]
Synonym potassium 3,5-difluorophenyl trifluoroborate,potassium 3,5-difluorophenyl trifluoroboranuide,potassium 3,5-difluorophenyl trifluoro borate 1-,potassium 3,5-difluorophenyl-trifluoroboranuide,potassium ion 3,5-difluorophenyl trifluoroboranuide,potassium 3,5-bis fluoranyl phenyl-tris fluoranyl boranuide
IUPAC Name potassium;(3,5-difluorophenyl)-trifluoroboranuide
InChI Key JFSPHPHYZHGKPO-UHFFFAOYSA-N
Molecular Formula C6H3BF5K
12

Potassium 3-fluorophenyltrifluoroborate, 96%, Thermo Scientific™

CAS: 267006-24-6 Molecular Formula: C6H4BF4K Molecular Weight (g/mol): 202 MDL Number: MFCD06659938 InChI Key: LOPFKHUYBDOHRD-UHFFFAOYSA-N Synonym: potassium 3-fluorophenyltrifluoroborate,potassium trifluoro 3-fluorophenyl borate,potassium trifluoro 3-fluorophenyl boranuide,potassium 3-fluorophenyl trifluoroborate,potassium trifluoro 3-fluorophenyl borate 1-,pubchem11392,c6h4bf4.k,potassium trifluoro-3-fluorophenyl boranuide,potassium ion trifluoro 3-fluorophenyl boranuide PubChem CID: 23697350 IUPAC Name: potassium;trifluoro-(3-fluorophenyl)boranuide SMILES: [B-](C1=CC(=CC=C1)F)(F)(F)F.[K+]

PubChem CID 23697350
CAS 267006-24-6
Molecular Weight (g/mol) 202
MDL Number MFCD06659938
SMILES [B-](C1=CC(=CC=C1)F)(F)(F)F.[K+]
Synonym potassium 3-fluorophenyltrifluoroborate,potassium trifluoro 3-fluorophenyl borate,potassium trifluoro 3-fluorophenyl boranuide,potassium 3-fluorophenyl trifluoroborate,potassium trifluoro 3-fluorophenyl borate 1-,pubchem11392,c6h4bf4.k,potassium trifluoro-3-fluorophenyl boranuide,potassium ion trifluoro 3-fluorophenyl boranuide
IUPAC Name potassium;trifluoro-(3-fluorophenyl)boranuide
InChI Key LOPFKHUYBDOHRD-UHFFFAOYSA-N
Molecular Formula C6H4BF4K
13

Potassium 4-formylphenyltrifluoroborate, 97%, Thermo Scientific™

CAS: 374564-36-0 Molecular Formula: C7H5BF3KO Molecular Weight (g/mol): 212.02 MDL Number: MFCD02093980 InChI Key: PEWVRVCGAOIWBB-UHFFFAOYSA-N Synonym: potassium 4-formylphenyltrifluoroborate,potassium trifluoro 4-formylphenyl borate,potassium 4-formylphenyl trifluoroborate,potassium trifluoro 4-formylphenyl boranuide,potassium trifluoro-4-formylphenyl boranuide,pubchem11346,amtb083,potassium trifluoro 4-formylphenyl borate 1-,potassium ion trifluoro 4-formylphenyl boranuide PubChem CID: 23697319 IUPAC Name: potassium;trifluoro-(4-formylphenyl)boranuide SMILES: [B-](C1=CC=C(C=C1)C=O)(F)(F)F.[K+]

PubChem CID 23697319
CAS 374564-36-0
Molecular Weight (g/mol) 212.02
MDL Number MFCD02093980
SMILES [B-](C1=CC=C(C=C1)C=O)(F)(F)F.[K+]
Synonym potassium 4-formylphenyltrifluoroborate,potassium trifluoro 4-formylphenyl borate,potassium 4-formylphenyl trifluoroborate,potassium trifluoro 4-formylphenyl boranuide,potassium trifluoro-4-formylphenyl boranuide,pubchem11346,amtb083,potassium trifluoro 4-formylphenyl borate 1-,potassium ion trifluoro 4-formylphenyl boranuide
IUPAC Name potassium;trifluoro-(4-formylphenyl)boranuide
InChI Key PEWVRVCGAOIWBB-UHFFFAOYSA-N
Molecular Formula C7H5BF3KO
14

Potassium 4-(ethylthio)phenyltrifluoroborate, 96%, Thermo Scientific™

CAS: 850623-75-5 Molecular Formula: C8H9BF3KS Molecular Weight (g/mol): 244.124 MDL Number: MFCD04115771 InChI Key: BVLNLNRSQDZWIL-UHFFFAOYSA-N Synonym: potassium 4-ethylthiophenyl trifluoroborate,potassium 4-ethylthio phenyl trifluoroborate,potassium 4-ethylsulfanyl phenyl trifluoroboranuide,potassium 4-ethylthio phenyltrifluoroborate,potassium 4-ethylthio phenyl-trifluoroboranuide,potassium ion 4-ethylsulfanyl phenyl trifluoroboranuide,potassium 4-ethylsulfanylphenyl-tris fluoranyl boranuide,potassium 4-ethylsulfanyl phenyl trifluoro borate 1- PubChem CID: 44717235 IUPAC Name: potassium;(4-ethylsulfanylphenyl)-trifluoroboranuide SMILES: [B-](C1=CC=C(C=C1)SCC)(F)(F)F.[K+]

PubChem CID 44717235
CAS 850623-75-5
Molecular Weight (g/mol) 244.124
MDL Number MFCD04115771
SMILES [B-](C1=CC=C(C=C1)SCC)(F)(F)F.[K+]
Synonym potassium 4-ethylthiophenyl trifluoroborate,potassium 4-ethylthio phenyl trifluoroborate,potassium 4-ethylsulfanyl phenyl trifluoroboranuide,potassium 4-ethylthio phenyltrifluoroborate,potassium 4-ethylthio phenyl-trifluoroboranuide,potassium ion 4-ethylsulfanyl phenyl trifluoroboranuide,potassium 4-ethylsulfanylphenyl-tris fluoranyl boranuide,potassium 4-ethylsulfanyl phenyl trifluoro borate 1-
IUPAC Name potassium;(4-ethylsulfanylphenyl)-trifluoroboranuide
InChI Key BVLNLNRSQDZWIL-UHFFFAOYSA-N
Molecular Formula C8H9BF3KS
15

Niobium phenoxide, Thermo Scientific™

CAS: 16576-63-9 Molecular Formula: C30H25NbO5 Molecular Weight (g/mol): 558.431 MDL Number: MFCD00014076 InChI Key: ZCNDFHXTXLMYDM-UHFFFAOYSA-I Synonym: niobium 5+ pentakisphenoxide,pentaphenoxyniobium v,niobium 5+ ion pentaphenolate,columbium penta phenoxide,niobium 5+ pentaphenolate,phenol, niobium 5+ salt 5:1 PubChem CID: 25021451 IUPAC Name: niobium(5+);pentaphenoxide SMILES: C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Nb+5]

PubChem CID 25021451
CAS 16576-63-9
Molecular Weight (g/mol) 558.431
MDL Number MFCD00014076
SMILES C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Nb+5]
Synonym niobium 5+ pentakisphenoxide,pentaphenoxyniobium v,niobium 5+ ion pentaphenolate,columbium penta phenoxide,niobium 5+ pentaphenolate,phenol, niobium 5+ salt 5:1
IUPAC Name niobium(5+);pentaphenoxide
InChI Key ZCNDFHXTXLMYDM-UHFFFAOYSA-I
Molecular Formula C30H25NbO5