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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.
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1 – 15 of 158 results
1

Blue Tetrazolium chloride

CAS: 1871-22-3 Molecular Formula: C40H36Cl2N8O2 Molecular Weight (g/mol): 731.68 MDL Number: MFCD00040933 InChI Key: RCEHREKDVGHYAM-UHFFFAOYSA-N Synonym: blue tetrazolium chloride,tetrazolium blue,tetrazolium blue chloride,blue tetrazolium,dimethoxy neotetrazolium,4-anisyltetrazolium blue,3,3'-3,3'-dimethoxy-1,1'-biphenyl-4,4'-diyl bis 2,5-diphenyl-2h-tetrazol-3-ium chloride,3,3'-dianisole-4,4'-bis 3,5-diphenyltetrazolium chloride,3,3'-dianisolebis 4,4'-3,5-diphenyl tetrazolium chloride,3,3'-3,3'-dimethoxy-4,4'-biphenylene bis 2,5-diphenyl-2h-tetrazolium chloride PubChem CID: 9853362 ChEBI: CHEBI:75198 IUPAC Name: 2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium;dichloride SMILES: [H+].[H+].[Cl-].[Cl-].COC1=CC(=CC=C1N1NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(N2NC(=NN2C2=CC=CC=C2)C2=CC=CC=C2)C(OC)=C1

PubChem CID 9853362
CAS 1871-22-3
Molecular Weight (g/mol) 731.68
ChEBI CHEBI:75198
MDL Number MFCD00040933
SMILES [H+].[H+].[Cl-].[Cl-].COC1=CC(=CC=C1N1NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(N2NC(=NN2C2=CC=CC=C2)C2=CC=CC=C2)C(OC)=C1
Synonym blue tetrazolium chloride,tetrazolium blue,tetrazolium blue chloride,blue tetrazolium,dimethoxy neotetrazolium,4-anisyltetrazolium blue,3,3'-3,3'-dimethoxy-1,1'-biphenyl-4,4'-diyl bis 2,5-diphenyl-2h-tetrazol-3-ium chloride,3,3'-dianisole-4,4'-bis 3,5-diphenyltetrazolium chloride,3,3'-dianisolebis 4,4'-3,5-diphenyl tetrazolium chloride,3,3'-3,3'-dimethoxy-4,4'-biphenylene bis 2,5-diphenyl-2h-tetrazolium chloride
IUPAC Name 2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium;dichloride
InChI Key RCEHREKDVGHYAM-UHFFFAOYSA-N
Molecular Formula C40H36Cl2N8O2
2

Thermo Scientific Chemicals Iodonitrotetrazolium violet, 95%

CAS: 146-68-9 Molecular Formula: C19H13ClIN5O2 Molecular Weight (g/mol): 505.70 MDL Number: MFCD00011961,MFCD00149999 InChI Key: JORABGDXCIBAFL-UHFFFAOYSA-M Synonym: iodonitrotetrazolium chloride,iodonitrotetrazolium,iodonitrotetrazolium purple,iodonitrotetrazolium violet,2-4-iodophenyl-3-4-nitrophenyl-5-phenyltetrazolium chloride,iodonitro tetrazolium,int,p-iodonitrotetrazolium violet,int chemical,2-p-iodophenyl-3-p-nitrophenyl-5-phenyltetrazolium chloride PubChem CID: 64957 ChEBI: CHEBI:75421 IUPAC Name: 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;chloride SMILES: [Cl-].[O-][N+](=O)C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=C(I)C=C1)C1=CC=CC=C1

PubChem CID 64957
CAS 146-68-9
Molecular Weight (g/mol) 505.70
ChEBI CHEBI:75421
MDL Number MFCD00011961,MFCD00149999
SMILES [Cl-].[O-][N+](=O)C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=C(I)C=C1)C1=CC=CC=C1
Synonym iodonitrotetrazolium chloride,iodonitrotetrazolium,iodonitrotetrazolium purple,iodonitrotetrazolium violet,2-4-iodophenyl-3-4-nitrophenyl-5-phenyltetrazolium chloride,iodonitro tetrazolium,int,p-iodonitrotetrazolium violet,int chemical,2-p-iodophenyl-3-p-nitrophenyl-5-phenyltetrazolium chloride
IUPAC Name 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;chloride
InChI Key JORABGDXCIBAFL-UHFFFAOYSA-M
Molecular Formula C19H13ClIN5O2
3

1-Phenylsemicarbazide 98.0+%, TCI America™

CAS: 103-03-7 Molecular Formula: C7H9N3O Molecular Weight (g/mol): 151.17 MDL Number: MFCD00007942 InChI Key: AVKHCKXGKPAGEI-UHFFFAOYSA-N Synonym: phenicarbazide,1-phenylsemicarbazide,2-phenylhydrazinecarboxamide,phenicarbazid,phenylsemicarbazide,carbaphen,kryogenin,phenygenine,febrimin,1-carbamyl-2-phenylhydrazine PubChem CID: 61002 ChEBI: CHEBI:82521 IUPAC Name: (phenylamino)urea SMILES: NC(=O)NNC1=CC=CC=C1

PubChem CID 61002
CAS 103-03-7
Molecular Weight (g/mol) 151.17
ChEBI CHEBI:82521
MDL Number MFCD00007942
SMILES NC(=O)NNC1=CC=CC=C1
Synonym phenicarbazide,1-phenylsemicarbazide,2-phenylhydrazinecarboxamide,phenicarbazid,phenylsemicarbazide,carbaphen,kryogenin,phenygenine,febrimin,1-carbamyl-2-phenylhydrazine
IUPAC Name (phenylamino)urea
InChI Key AVKHCKXGKPAGEI-UHFFFAOYSA-N
Molecular Formula C7H9N3O
4

1,4-Dibromotetrafluorobenzene 98.0+%, TCI America™

CAS: 344-03-6 Molecular Formula: C6Br2F4 Molecular Weight (g/mol): 307.87 MDL Number: MFCD00000309 InChI Key: QFTZULJNRAHOIY-UHFFFAOYSA-N Synonym: 1,4-dibromotetrafluorobenzene,p-dibromotetrafluorobenzene,benzene, 1,4-dibromo-2,3,5,6-tetrafluoro,benzene, 1,4-dibromotetrafluoro,1,3,5,6-tetrafluorobenzene,benzene,4-dibromotetrafluoro,emolecules 536967,tetrafluoro-1,4-dibromo benzene,perfluoro-1,4-dibromobenzene PubChem CID: 67653 IUPAC Name: 1,4-dibromo-2,3,5,6-tetrafluorobenzene SMILES: FC1=C(F)C(Br)=C(F)C(F)=C1Br

PubChem CID 67653
CAS 344-03-6
Molecular Weight (g/mol) 307.87
MDL Number MFCD00000309
SMILES FC1=C(F)C(Br)=C(F)C(F)=C1Br
Synonym 1,4-dibromotetrafluorobenzene,p-dibromotetrafluorobenzene,benzene, 1,4-dibromo-2,3,5,6-tetrafluoro,benzene, 1,4-dibromotetrafluoro,1,3,5,6-tetrafluorobenzene,benzene,4-dibromotetrafluoro,emolecules 536967,tetrafluoro-1,4-dibromo benzene,perfluoro-1,4-dibromobenzene
IUPAC Name 1,4-dibromo-2,3,5,6-tetrafluorobenzene
InChI Key QFTZULJNRAHOIY-UHFFFAOYSA-N
Molecular Formula C6Br2F4
5

2,6-Difluorobenzamide 97.0+%, TCI America™

CAS: 18063-03-1 Molecular Formula: C7H5F2NO Molecular Weight (g/mol): 157.12 MDL Number: MFCD00007972 InChI Key: AVRQBXVUUXHRMY-UHFFFAOYSA-N Synonym: benzamide, 2,6-difluoro,2,6-dfam,unii-sj2rn214mk,sj2rn214mk,2,6-difluorobenzoylamide,2,6 difluorobenzamide,2.6-difluorobenzamide,pubchem10766,2, 6 difluorobenzamide,2,6 difluorobenzamide; PubChem CID: 87439 IUPAC Name: 2,6-difluorobenzamide SMILES: C1=CC(=C(C(=C1)F)C(=O)N)F

PubChem CID 87439
CAS 18063-03-1
Molecular Weight (g/mol) 157.12
MDL Number MFCD00007972
SMILES C1=CC(=C(C(=C1)F)C(=O)N)F
Synonym benzamide, 2,6-difluoro,2,6-dfam,unii-sj2rn214mk,sj2rn214mk,2,6-difluorobenzoylamide,2,6 difluorobenzamide,2.6-difluorobenzamide,pubchem10766,2, 6 difluorobenzamide,2,6 difluorobenzamide;
IUPAC Name 2,6-difluorobenzamide
InChI Key AVRQBXVUUXHRMY-UHFFFAOYSA-N
Molecular Formula C7H5F2NO
6

3-Nitroanisole 99.0+%, TCI America™

CAS: 555-03-3 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007237 InChI Key: WGYFINWERLNPHR-UHFFFAOYSA-N Synonym: 3-nitroanisole,m-nitroanisole,benzene, 1-methoxy-3-nitro,m-methoxynitrobenzene,3-methoxynitrobenzene,anisole, m-nitro,1-methoxy-3-nitro-benzene,methyl m-nitrophenyl ether,unii-v9920uy61e,ccris 2320 PubChem CID: 11140 ChEBI: CHEBI:48972 IUPAC Name: 1-methoxy-3-nitrobenzene SMILES: COC1=CC=CC(=C1)[N+](=O)[O-]

PubChem CID 11140
CAS 555-03-3
Molecular Weight (g/mol) 153.137
ChEBI CHEBI:48972
MDL Number MFCD00007237
SMILES COC1=CC=CC(=C1)[N+](=O)[O-]
Synonym 3-nitroanisole,m-nitroanisole,benzene, 1-methoxy-3-nitro,m-methoxynitrobenzene,3-methoxynitrobenzene,anisole, m-nitro,1-methoxy-3-nitro-benzene,methyl m-nitrophenyl ether,unii-v9920uy61e,ccris 2320
IUPAC Name 1-methoxy-3-nitrobenzene
InChI Key WGYFINWERLNPHR-UHFFFAOYSA-N
Molecular Formula C7H7NO3
7

1-(m-Tolyl)piperazine 95.0+%, TCI America™

CAS: 41186-03-2 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 InChI Key: JIWHIRLNKIUYSM-UHFFFAOYSA-N Synonym: 1-3-methylphenyl piperazine,1-m-tolyl piperazine,1-m-tolylpiperazine,1-3-methylphenyl-piperazine,1-m-tolyl-piperazine,piperazine, 1-3-methylphenyl,3-methylphenyl piperazine,4-m-tolylpiperazine,1-m-tolyl-piperzine,4-m-tolyl-piperazine PubChem CID: 83111 IUPAC Name: 1-(3-methylphenyl)piperazine SMILES: CC1=CC(=CC=C1)N2CCNCC2

PubChem CID 83111
CAS 41186-03-2
Molecular Weight (g/mol) 176.263
SMILES CC1=CC(=CC=C1)N2CCNCC2
Synonym 1-3-methylphenyl piperazine,1-m-tolyl piperazine,1-m-tolylpiperazine,1-3-methylphenyl-piperazine,1-m-tolyl-piperazine,piperazine, 1-3-methylphenyl,3-methylphenyl piperazine,4-m-tolylpiperazine,1-m-tolyl-piperzine,4-m-tolyl-piperazine
IUPAC Name 1-(3-methylphenyl)piperazine
InChI Key JIWHIRLNKIUYSM-UHFFFAOYSA-N
Molecular Formula C11H16N2
8

Diphenylthiocarbazide 98.0+%, TCI America™

CAS: 622-03-7 Molecular Formula: C13H14N4S Molecular Weight (g/mol): 258.34 MDL Number: MFCD00046042 InChI Key: BNSNUHPJRKTRNT-UHFFFAOYSA-N Synonym: 1,5-Diphenyl-3-thiocarbohydrazide PubChem CID: 3032337 IUPAC Name: 1,3-bis(phenylamino)thiourea SMILES: S=C(NNC1=CC=CC=C1)NNC1=CC=CC=C1

PubChem CID 3032337
CAS 622-03-7
Molecular Weight (g/mol) 258.34
MDL Number MFCD00046042
SMILES S=C(NNC1=CC=CC=C1)NNC1=CC=CC=C1
Synonym 1,5-Diphenyl-3-thiocarbohydrazide
IUPAC Name 1,3-bis(phenylamino)thiourea
InChI Key BNSNUHPJRKTRNT-UHFFFAOYSA-N
Molecular Formula C13H14N4S
9

4-Fluorophenylacetone 98.0+%, TCI America™

CAS: 459-03-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00000362 InChI Key: ZUEKIIWSVFBTCM-UHFFFAOYSA-N Synonym: 4-fluorophenylacetone,4-fluorophenyl acetone,1-4-fluorophenyl propan-2-one,1-4-fluorophenyl acetone,1-4-fluorophenyl-2-propanone,2-propanone, 1-4-fluorophenyl,p-fluorophenyl acetone,1-acetonyl-4-fluorobenzene,1-4-fluoro-phenyl-propan-2-one PubChem CID: 521187 IUPAC Name: 1-(4-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(F)C=C1

PubChem CID 521187
CAS 459-03-0
Molecular Weight (g/mol) 152.17
MDL Number MFCD00000362
SMILES CC(=O)CC1=CC=C(F)C=C1
Synonym 4-fluorophenylacetone,4-fluorophenyl acetone,1-4-fluorophenyl propan-2-one,1-4-fluorophenyl acetone,1-4-fluorophenyl-2-propanone,2-propanone, 1-4-fluorophenyl,p-fluorophenyl acetone,1-acetonyl-4-fluorobenzene,1-4-fluoro-phenyl-propan-2-one
IUPAC Name 1-(4-fluorophenyl)propan-2-one
InChI Key ZUEKIIWSVFBTCM-UHFFFAOYSA-N
Molecular Formula C9H9FO
10

4-Bromo-3-nitrobenzotrifluoride 98.0+%, TCI America™

CAS: 349-03-1 Molecular Formula: C7H3BrF3NO2 Molecular Weight (g/mol): 270.01 MDL Number: MFCD00014685 InChI Key: PESPBNYBZVIGRO-UHFFFAOYSA-N Synonym: 4-bromo-3-nitrobenzotrifluoride,1-bromo-2-nitro-4-trifluoromethyl benzene,2-nitro-4-trifluoromethylbromobenzene,3-nitro-4-bromobenzotrifluoride,2-bromo-5-trifluoromethyl nitrobenzene,4-bromo-3-nitro-a,a,a-trifluorotoluene,benzene, 1-bromo-2-nitro-4-trifluoromethyl,1-bromo-2-nitro-4-trifluoromethyl-benzene,2-bromo-1-nitro-5-trifluoromethyl benzene,toluene, 4-bromo-3-nitro-alpha,alpha,alpha-trifluoro PubChem CID: 520706 IUPAC Name: 1-bromo-2-nitro-4-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC=C1Br)C(F)(F)F

PubChem CID 520706
CAS 349-03-1
Molecular Weight (g/mol) 270.01
MDL Number MFCD00014685
SMILES [O-][N+](=O)C1=CC(=CC=C1Br)C(F)(F)F
Synonym 4-bromo-3-nitrobenzotrifluoride,1-bromo-2-nitro-4-trifluoromethyl benzene,2-nitro-4-trifluoromethylbromobenzene,3-nitro-4-bromobenzotrifluoride,2-bromo-5-trifluoromethyl nitrobenzene,4-bromo-3-nitro-a,a,a-trifluorotoluene,benzene, 1-bromo-2-nitro-4-trifluoromethyl,1-bromo-2-nitro-4-trifluoromethyl-benzene,2-bromo-1-nitro-5-trifluoromethyl benzene,toluene, 4-bromo-3-nitro-alpha,alpha,alpha-trifluoro
IUPAC Name 1-bromo-2-nitro-4-(trifluoromethyl)benzene
InChI Key PESPBNYBZVIGRO-UHFFFAOYSA-N
Molecular Formula C7H3BrF3NO2
11

(3R,4R)-1-Benzyl-4-hydroxy-3-pyrrolidinemethanol 96.0+%, TCI America™

CAS: 253129-03-2 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.273 InChI Key: XQYUBSUGHRDQSN-NEPJUHHUSA-N PubChem CID: 11579361 IUPAC Name: (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol SMILES: C1C(C(CN1CC2=CC=CC=C2)O)CO

PubChem CID 11579361
CAS 253129-03-2
Molecular Weight (g/mol) 207.273
SMILES C1C(C(CN1CC2=CC=CC=C2)O)CO
IUPAC Name (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
InChI Key XQYUBSUGHRDQSN-NEPJUHHUSA-N
Molecular Formula C12H17NO2
12

1-Bromo-4-(trimethylsilyl)benzene 97.0+%, TCI America™

CAS: 6999-03-7 Molecular Formula: C9H13BrSi Molecular Weight (g/mol): 229.19 MDL Number: MFCD00094165 InChI Key: UKTSSJJZFVGTCG-UHFFFAOYSA-N Synonym: (4-Bromophenyl)trimethylsilane PubChem CID: 138897 IUPAC Name: (4-bromophenyl)-trimethylsilane SMILES: C[Si](C)(C)C1=CC=C(C=C1)Br

PubChem CID 138897
CAS 6999-03-7
Molecular Weight (g/mol) 229.19
MDL Number MFCD00094165
SMILES C[Si](C)(C)C1=CC=C(C=C1)Br
Synonym (4-Bromophenyl)trimethylsilane
IUPAC Name (4-bromophenyl)-trimethylsilane
InChI Key UKTSSJJZFVGTCG-UHFFFAOYSA-N
Molecular Formula C9H13BrSi
13

3-Methylbenzyl Alcohol 98.0+%, TCI America™

CAS: 587-03-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004646 InChI Key: JJCKHVUTVOPLBV-UHFFFAOYSA-N Synonym: 3-methylbenzyl alcohol,3-methylphenyl methanol,m-tolyl carbinol,m-tolylmethanol,benzenemethanol, 3-methyl,unii-ttg38p37u6,m-methylbenzyl alcohol,3-methylbenzylalcohol,m-methyl benzyl alcohol,3-methyl-benzenemethanol PubChem CID: 11476 ChEBI: CHEBI:27995 IUPAC Name: (3-methylphenyl)methanol SMILES: CC1=CC(=CC=C1)CO

PubChem CID 11476
CAS 587-03-1
Molecular Weight (g/mol) 122.167
ChEBI CHEBI:27995
MDL Number MFCD00004646
SMILES CC1=CC(=CC=C1)CO
Synonym 3-methylbenzyl alcohol,3-methylphenyl methanol,m-tolyl carbinol,m-tolylmethanol,benzenemethanol, 3-methyl,unii-ttg38p37u6,m-methylbenzyl alcohol,3-methylbenzylalcohol,m-methyl benzyl alcohol,3-methyl-benzenemethanol
IUPAC Name (3-methylphenyl)methanol
InChI Key JJCKHVUTVOPLBV-UHFFFAOYSA-N
Molecular Formula C8H10O
14

2,6-Dibromo-1,4-phenylenediamine 98.0+%, TCI America™

CAS: 29213-03-4 Molecular Formula: C6H6Br2N2 Molecular Weight (g/mol): 265.94 MDL Number: MFCD02575406 InChI Key: NIXNGYGWQMXMCA-UHFFFAOYSA-N Synonym: 2,5-Diamino-1,3-dibromobenzene PubChem CID: 653341 IUPAC Name: 2,6-dibromobenzene-1,4-diamine SMILES: NC1=CC(Br)=C(N)C(Br)=C1

PubChem CID 653341
CAS 29213-03-4
Molecular Weight (g/mol) 265.94
MDL Number MFCD02575406
SMILES NC1=CC(Br)=C(N)C(Br)=C1
Synonym 2,5-Diamino-1,3-dibromobenzene
IUPAC Name 2,6-dibromobenzene-1,4-diamine
InChI Key NIXNGYGWQMXMCA-UHFFFAOYSA-N
Molecular Formula C6H6Br2N2
15

(S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane 98.0+%, TCI America™

CAS: 16495-03-7 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.284 MDL Number: MFCD00043000 InChI Key: DBFDSKSLTCMIPB-LBPRGKRZSA-N PubChem CID: 10878747 IUPAC Name: (4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane SMILES: CC1(OCC(O1)COCC2=CC=CC=C2)C

PubChem CID 10878747
CAS 16495-03-7
Molecular Weight (g/mol) 222.284
MDL Number MFCD00043000
SMILES CC1(OCC(O1)COCC2=CC=CC=C2)C
IUPAC Name (4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane
InChI Key DBFDSKSLTCMIPB-LBPRGKRZSA-N
Molecular Formula C13H18O3