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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Fluorobenzenes (11)
Bromobenzenes (5)
Phenoxides (3)
Benzenesulfonic acids and derivatives (2)
Benzoyl derivatives (2)
Phenylpropanes (2)
Trifluoromethylbenzenes (2)

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1 – 15 of 16 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
5

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
9

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
10

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
11

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
12

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
13

Potassium 4-bromophenyltrifluoroborate, 97%, Thermo Scientific™

CAS: 374564-35-9 Molecular Formula: C6H4BBrF3K Molecular Weight (g/mol): 262.91 MDL Number: MFCD02093978 InChI Key: YTSKPQQWISZEQO-UHFFFAOYSA-N Synonym: potassium 4-bromophenyl trifluoroborate,potassium 4-bromophenyltrifluoroborate,potassium 4-bromophenyl trifluoroboranuide,pubchem11345,amtb079,potassium 4-bromophenyl-trifluoroboranuide,potassium ion 4-bromophenyl trifluoroboranuide,potassium 4-bromophenyl trifluoro borate 1-,potassium 4-bromophenyl-tris fluoranyl boranuide,4-bromophenyltrifluoroboric acid potassium salt PubChem CID: 23674779 SMILES: [K+].F[B-](F)(F)C1=CC=C(Br)C=C1

PubChem CID 23674779
CAS 374564-35-9
Molecular Weight (g/mol) 262.91
MDL Number MFCD02093978
SMILES [K+].F[B-](F)(F)C1=CC=C(Br)C=C1
Synonym potassium 4-bromophenyl trifluoroborate,potassium 4-bromophenyltrifluoroborate,potassium 4-bromophenyl trifluoroboranuide,pubchem11345,amtb079,potassium 4-bromophenyl-trifluoroboranuide,potassium ion 4-bromophenyl trifluoroboranuide,potassium 4-bromophenyl trifluoro borate 1-,potassium 4-bromophenyl-tris fluoranyl boranuide,4-bromophenyltrifluoroboric acid potassium salt
InChI Key YTSKPQQWISZEQO-UHFFFAOYSA-N
Molecular Formula C6H4BBrF3K
14

2,4,6-Trifluorobenzonitrile, 99%, Thermo Scientific™

CAS: 96606-37-0 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.095 MDL Number: MFCD00042399 InChI Key: HTKFGTCCOJIUIK-UHFFFAOYSA-N Synonym: benzonitrile, 2,4,6-trifluoro,2,4,6-trifluorobenzenecarbonitrile,ncr bf df ff,pubchem1565,acmc-209s7e,ksc488g9f,2,4,6-trifluoro-benzonitrile,2,4,6-trifluorobenzonitrile,benzonitrile, 2,4,6-trifluoro-, radical ion 1-9ci PubChem CID: 737177 IUPAC Name: 2,4,6-trifluorobenzonitrile SMILES: C1=C(C=C(C(=C1F)C#N)F)F

PubChem CID 737177
CAS 96606-37-0
Molecular Weight (g/mol) 157.095
MDL Number MFCD00042399
SMILES C1=C(C=C(C(=C1F)C#N)F)F
Synonym benzonitrile, 2,4,6-trifluoro,2,4,6-trifluorobenzenecarbonitrile,ncr bf df ff,pubchem1565,acmc-209s7e,ksc488g9f,2,4,6-trifluoro-benzonitrile,2,4,6-trifluorobenzonitrile,benzonitrile, 2,4,6-trifluoro-, radical ion 1-9ci
IUPAC Name 2,4,6-trifluorobenzonitrile
InChI Key HTKFGTCCOJIUIK-UHFFFAOYSA-N
Molecular Formula C7H2F3N
15

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

CAS: 166328-08-1 Molecular Formula: C7H4BF6K Molecular Weight (g/mol): 252.008 MDL Number: MFCD04039955 InChI Key: KVDSXGFQLXKOID-UHFFFAOYSA-N Synonym: potassium 4-trifluoromethyl phenyltrifluoroborate,potassium trifluoro 4-trifluoromethyl phenyl borate,potassium trifluoro 4-trifluoromethyl phenyl boranuide,pubchem11514,potassium 4-trifluoromethylphenyl trifluoroborate,potassium 4-trifluoromethylphenyl trifluoroborate,,potassium 4-trifluoromethyl phenyl trifluoroborate,potassium trifluoro-4-trifluoromethyl phenyl boranuide,potassium trifluoro 4-trifluoromethyl phenyl borate 1-,potassium ion trifluoro 4-trifluoromethyl phenyl boranuide PubChem CID: 23679121 IUPAC Name: potassium;trifluoro-[4-(trifluoromethyl)phenyl]boranuide SMILES: [B-](C1=CC=C(C=C1)C(F)(F)F)(F)(F)F.[K+]

PubChem CID 23679121
CAS 166328-08-1
Molecular Weight (g/mol) 252.008
MDL Number MFCD04039955
SMILES [B-](C1=CC=C(C=C1)C(F)(F)F)(F)(F)F.[K+]
Synonym potassium 4-trifluoromethyl phenyltrifluoroborate,potassium trifluoro 4-trifluoromethyl phenyl borate,potassium trifluoro 4-trifluoromethyl phenyl boranuide,pubchem11514,potassium 4-trifluoromethylphenyl trifluoroborate,potassium 4-trifluoromethylphenyl trifluoroborate,,potassium 4-trifluoromethyl phenyl trifluoroborate,potassium trifluoro-4-trifluoromethyl phenyl boranuide,potassium trifluoro 4-trifluoromethyl phenyl borate 1-,potassium ion trifluoro 4-trifluoromethyl phenyl boranuide
IUPAC Name potassium;trifluoro-[4-(trifluoromethyl)phenyl]boranuide
InChI Key KVDSXGFQLXKOID-UHFFFAOYSA-N
Molecular Formula C7H4BF6K