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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 (64,917)
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Unsubstituted Phenols (1,173)
Thiophenols (609)
Phenol esters (426)
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1-hydroxylamino 2-unsubstituted benzenoids (5)

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3,616 – 3,630 of 73,799 results
3,616

4-Fluorophenylacetylene, 99%

CAS: 766-98-3 Molecular Formula: C8H5F Molecular Weight (g/mol): 120.126 MDL Number: MFCD00168823 InChI Key: QXSWHQGIEKUBAS-UHFFFAOYSA-N Synonym: 4-fluorophenylacetylene,benzene, 1-ethynyl-4-fluoro,1-ethynyl-4-fluoro-benzene,4'-fluorophenyl acetylene,p-fluorophenyl acetylene,4'-fluorophenylacetylene,pubchem16719,4-fluorophenyl acetylene,4-fluoro phenylacetylene PubChem CID: 522627 IUPAC Name: 1-ethynyl-4-fluorobenzene SMILES: C#CC1=CC=C(C=C1)F

PubChem CID 522627
CAS 766-98-3
Molecular Weight (g/mol) 120.126
MDL Number MFCD00168823
SMILES C#CC1=CC=C(C=C1)F
Synonym 4-fluorophenylacetylene,benzene, 1-ethynyl-4-fluoro,1-ethynyl-4-fluoro-benzene,4'-fluorophenyl acetylene,p-fluorophenyl acetylene,4'-fluorophenylacetylene,pubchem16719,4-fluorophenyl acetylene,4-fluoro phenylacetylene
IUPAC Name 1-ethynyl-4-fluorobenzene
InChI Key QXSWHQGIEKUBAS-UHFFFAOYSA-N
Molecular Formula C8H5F
3,617

1-(3-Fluorobenzyl)piperazine, 97%

CAS: 55513-19-4 Molecular Formula: C11H15FN2 Molecular Weight (g/mol): 194.253 MDL Number: MFCD02242870 InChI Key: ITHBJSRWFNLKIH-UHFFFAOYSA-N Synonym: 1-3-fluorobenzyl piperazine,1-3-fluorophenyl methyl piperazine,1-3-fluoro-benzyl-piperazine,3-fluorophenyl methyl piperazine,1-3-fluorobenz-yl piperazine,piperazine, 1-3-fluorophenyl methyl,1-3-fluorophenyl methyl piperazine trifluoroacetate PubChem CID: 903813 IUPAC Name: 1-[(3-fluorophenyl)methyl]piperazine SMILES: C1CN(CCN1)CC2=CC(=CC=C2)F

PubChem CID 903813
CAS 55513-19-4
Molecular Weight (g/mol) 194.253
MDL Number MFCD02242870
SMILES C1CN(CCN1)CC2=CC(=CC=C2)F
Synonym 1-3-fluorobenzyl piperazine,1-3-fluorophenyl methyl piperazine,1-3-fluoro-benzyl-piperazine,3-fluorophenyl methyl piperazine,1-3-fluorobenz-yl piperazine,piperazine, 1-3-fluorophenyl methyl,1-3-fluorophenyl methyl piperazine trifluoroacetate
IUPAC Name 1-[(3-fluorophenyl)methyl]piperazine
InChI Key ITHBJSRWFNLKIH-UHFFFAOYSA-N
Molecular Formula C11H15FN2
3,618

Methyl 2-fluoro-5-nitrobenzoate, 98%

CAS: 2965-22-2 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.137 MDL Number: MFCD06203689 InChI Key: JZLONOOYIXEAHM-UHFFFAOYSA-N Synonym: methyl 2-fluoro-5-nitrobenzenecarboxylate,2-fluoro-5-nitrobenzoic acid methyl ester,5-nitro-2-fluorobenzoic acid methyl ester,benzoicacid, 2-fluoro-5-nitro-, methyl ester,benzoic acid, 2-fluoro-5-nitro-, methyl ester,methyl 2-fluoro-5-nitro-benzoate,acmc-209ha6,ksc563m1n,methyl2-fluoro-5-nitrobenzoate,4-fluoro-3-methoxycarbonyl nitrobenzene PubChem CID: 11217860 IUPAC Name: methyl 2-fluoro-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F

PubChem CID 11217860
CAS 2965-22-2
Molecular Weight (g/mol) 199.137
MDL Number MFCD06203689
SMILES COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
Synonym methyl 2-fluoro-5-nitrobenzenecarboxylate,2-fluoro-5-nitrobenzoic acid methyl ester,5-nitro-2-fluorobenzoic acid methyl ester,benzoicacid, 2-fluoro-5-nitro-, methyl ester,benzoic acid, 2-fluoro-5-nitro-, methyl ester,methyl 2-fluoro-5-nitro-benzoate,acmc-209ha6,ksc563m1n,methyl2-fluoro-5-nitrobenzoate,4-fluoro-3-methoxycarbonyl nitrobenzene
IUPAC Name methyl 2-fluoro-5-nitrobenzoate
InChI Key JZLONOOYIXEAHM-UHFFFAOYSA-N
Molecular Formula C8H6FNO4
3,619

2-Bromo-3,4-difluoroaniline, 97%

CAS: 1092349-87-5 Molecular Formula: C6H4BrF2N Molecular Weight (g/mol): 208.01 MDL Number: MFCD11035924 InChI Key: ZGZURPPCPVPDMX-UHFFFAOYSA-N Synonym: 2-bromo-3,4-difluoro aniline,2-bromo-3,4-difluorophenylamine,2-bromo-3,4-difluorobenzenamine PubChem CID: 22731604 IUPAC Name: 2-bromo-3,4-difluoroaniline SMILES: NC1=C(Br)C(F)=C(F)C=C1

PubChem CID 22731604
CAS 1092349-87-5
Molecular Weight (g/mol) 208.01
MDL Number MFCD11035924
SMILES NC1=C(Br)C(F)=C(F)C=C1
Synonym 2-bromo-3,4-difluoro aniline,2-bromo-3,4-difluorophenylamine,2-bromo-3,4-difluorobenzenamine
IUPAC Name 2-bromo-3,4-difluoroaniline
InChI Key ZGZURPPCPVPDMX-UHFFFAOYSA-N
Molecular Formula C6H4BrF2N
3,620

3-Fluoro-4-(4-morpholinylmethyl)benzeneboronic acid pinacol ester, 96%

CAS: 1073354-74-1 Molecular Formula: C17H25BFNO3 Molecular Weight (g/mol): 321.20 MDL Number: MFCD09027076 InChI Key: QINFDPZSZHPUSC-UHFFFAOYSA-N Synonym: 4-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,3-fluoro-4-n-morpholinomethyl phenylboronic acid, pinacol ester,4-2-fluoro-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,3-fluoro-4-n-morpholinomethyl phenylboronic acid pinacol ester,4-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,3-fluoro-4-morpholin-4-ylmethyl benzeneboronic acid pinacol ester,3-fluoro-4-morpholin-4-ylmethyl benzeneboronic acid, pinacol ester,3-fluoro-4-morpholin-4-ylmethyl benzene boronic acid, pinacol ester,4-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl benzyl morpholine PubChem CID: 43811063 IUPAC Name: 4-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine SMILES: CC1(C)OB(OC1(C)C)C1=CC(F)=C(CN2CCOCC2)C=C1

PubChem CID 43811063
CAS 1073354-74-1
Molecular Weight (g/mol) 321.20
MDL Number MFCD09027076
SMILES CC1(C)OB(OC1(C)C)C1=CC(F)=C(CN2CCOCC2)C=C1
Synonym 4-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,3-fluoro-4-n-morpholinomethyl phenylboronic acid, pinacol ester,4-2-fluoro-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,3-fluoro-4-n-morpholinomethyl phenylboronic acid pinacol ester,4-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,3-fluoro-4-morpholin-4-ylmethyl benzeneboronic acid pinacol ester,3-fluoro-4-morpholin-4-ylmethyl benzeneboronic acid, pinacol ester,3-fluoro-4-morpholin-4-ylmethyl benzene boronic acid, pinacol ester,4-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl benzyl morpholine
IUPAC Name 4-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
InChI Key QINFDPZSZHPUSC-UHFFFAOYSA-N
Molecular Formula C17H25BFNO3
3,621

4-n-Hexyloxyaniline, 99%

CAS: 39905-57-2 Molecular Formula: C12H19NO Molecular Weight (g/mol): 193.29 MDL Number: MFCD00007868 InChI Key: DJRKHTCUXRGYEU-UHFFFAOYSA-N Synonym: 4-hexyloxyaniline,4-hexyloxy aniline,p-hexyloxyaniline,benzenamine, 4-hexyloxy,4-n-hexyloxyaniline,p-hexyloxy aniline,4-hexyloxy benzenamine,unii-vmx449yp3l,aniline, p-hexyloxy,vmx449yp3l PubChem CID: 38360 IUPAC Name: 4-hexoxyaniline SMILES: CCCCCCOC1=CC=C(N)C=C1

PubChem CID 38360
CAS 39905-57-2
Molecular Weight (g/mol) 193.29
MDL Number MFCD00007868
SMILES CCCCCCOC1=CC=C(N)C=C1
Synonym 4-hexyloxyaniline,4-hexyloxy aniline,p-hexyloxyaniline,benzenamine, 4-hexyloxy,4-n-hexyloxyaniline,p-hexyloxy aniline,4-hexyloxy benzenamine,unii-vmx449yp3l,aniline, p-hexyloxy,vmx449yp3l
IUPAC Name 4-hexoxyaniline
InChI Key DJRKHTCUXRGYEU-UHFFFAOYSA-N
Molecular Formula C12H19NO
3,622

4-Amino-3-iodobenzonitrile, 97%

CAS: 33348-34-4 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.035 MDL Number: MFCD04039964 InChI Key: UOWVTQFTEAYDLM-UHFFFAOYSA-N Synonym: 4-cyano-2-iodoaniline,1-amino-2-iodo-4-cyanobenzene,benzonitrile, 4-amino-3-iodo,4-amino-2-iodobenzonitrile 98,4-amino-3-iodobenzenecarbonitrile,2-iodo-4-cyanoaniline,4-cyano-6-iodoaniline,pubchem18486,acmc-20a6lw,3-iodo-4-aminobenzonitrile PubChem CID: 4416395 IUPAC Name: 4-amino-3-iodobenzonitrile SMILES: C1=CC(=C(C=C1C#N)I)N

PubChem CID 4416395
CAS 33348-34-4
Molecular Weight (g/mol) 244.035
MDL Number MFCD04039964
SMILES C1=CC(=C(C=C1C#N)I)N
Synonym 4-cyano-2-iodoaniline,1-amino-2-iodo-4-cyanobenzene,benzonitrile, 4-amino-3-iodo,4-amino-2-iodobenzonitrile 98,4-amino-3-iodobenzenecarbonitrile,2-iodo-4-cyanoaniline,4-cyano-6-iodoaniline,pubchem18486,acmc-20a6lw,3-iodo-4-aminobenzonitrile
IUPAC Name 4-amino-3-iodobenzonitrile
InChI Key UOWVTQFTEAYDLM-UHFFFAOYSA-N
Molecular Formula C7H5IN2
3,623

4-Iodo-o-phenylenediamine, 95%

CAS: 21304-38-1 Molecular Formula: C6H7IN2 Molecular Weight (g/mol): 234.04 MDL Number: MFCD08669466 InChI Key: FUOSRKZBOIVBOS-UHFFFAOYSA-N Synonym: 1,2-diamino-4-iodobenzene,4-iodo-1,2-diaminobenzene,4-iodo-1,2-phenylenediamine,1,2-benzenediamine, 4-iodo,4-iodo-1,2-benzenediamine,4-iodo-benzene-1,2-diamine,ambkkkkk335,2-amino-5-iodoaniline,2-amino4-iodophenylamine PubChem CID: 11207049 IUPAC Name: 4-iodobenzene-1,2-diamine SMILES: NC1=C(N)C=C(I)C=C1

PubChem CID 11207049
CAS 21304-38-1
Molecular Weight (g/mol) 234.04
MDL Number MFCD08669466
SMILES NC1=C(N)C=C(I)C=C1
Synonym 1,2-diamino-4-iodobenzene,4-iodo-1,2-diaminobenzene,4-iodo-1,2-phenylenediamine,1,2-benzenediamine, 4-iodo,4-iodo-1,2-benzenediamine,4-iodo-benzene-1,2-diamine,ambkkkkk335,2-amino-5-iodoaniline,2-amino4-iodophenylamine
IUPAC Name 4-iodobenzene-1,2-diamine
InChI Key FUOSRKZBOIVBOS-UHFFFAOYSA-N
Molecular Formula C6H7IN2
3,624

2-Bromo-3-fluorobenzaldehyde, 98%

CAS: 891180-59-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD07782044 InChI Key: CYJBMGYWRHGZBR-UHFFFAOYSA-N Synonym: 2-bromo-3-fluoro-benzaldehyde,benzaldehyde, 2-bromo-3-fluoro,pubchem1417,pubchem22500,acmc-1bwut,ksc494e8j,6-fluoro-2-formylbromobenzene PubChem CID: 24820504 IUPAC Name: 2-bromo-3-fluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)F)Br)C=O

PubChem CID 24820504
CAS 891180-59-9
Molecular Weight (g/mol) 203.01
MDL Number MFCD07782044
SMILES C1=CC(=C(C(=C1)F)Br)C=O
Synonym 2-bromo-3-fluoro-benzaldehyde,benzaldehyde, 2-bromo-3-fluoro,pubchem1417,pubchem22500,acmc-1bwut,ksc494e8j,6-fluoro-2-formylbromobenzene
IUPAC Name 2-bromo-3-fluorobenzaldehyde
InChI Key CYJBMGYWRHGZBR-UHFFFAOYSA-N
Molecular Formula C7H4BrFO
3,625

2,5-Difluorobenzeneboronic acid, 96%

CAS: 193353-34-3 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 MDL Number: MFCD01863171 InChI Key: KTOJGSDLJNUAEP-UHFFFAOYSA-N Synonym: 2,5-difluorophenyl boronic acid,2,5-difluorobenzeneboronic acid,2,5-difluorophenyl boranediol,boronic acid, 2,5-difluorophenyl,2,5-difluorophenylboronicacid,2,5-fluorobenzene boronic acid,pubchem1820,acmc-1c1am,ksc174i6r,2,5-difluoro phenylboronic acid PubChem CID: 2734335 IUPAC Name: (2,5-difluorophenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)F)F)(O)O

PubChem CID 2734335
CAS 193353-34-3
Molecular Weight (g/mol) 157.911
MDL Number MFCD01863171
SMILES B(C1=C(C=CC(=C1)F)F)(O)O
Synonym 2,5-difluorophenyl boronic acid,2,5-difluorobenzeneboronic acid,2,5-difluorophenyl boranediol,boronic acid, 2,5-difluorophenyl,2,5-difluorophenylboronicacid,2,5-fluorobenzene boronic acid,pubchem1820,acmc-1c1am,ksc174i6r,2,5-difluoro phenylboronic acid
IUPAC Name (2,5-difluorophenyl)boronic acid
InChI Key KTOJGSDLJNUAEP-UHFFFAOYSA-N
Molecular Formula C6H5BF2O2
3,626

4-Chlorothiophenol, 97%

CAS: 106-54-7 Molecular Formula: C6H5ClS Molecular Weight (g/mol): 144.616 MDL Number: MFCD00004847 InChI Key: VZXOZSQDJJNBRC-UHFFFAOYSA-N Synonym: 4-chlorothiophenol,p-chlorothiophenol,benzenethiol, 4-chloro,p-chlorobenzenethiol,p-chlorthiofenol,p-chlorophenylmercaptan,benzenethiol, p-chloro,p-mercaptochlorobenzene,4-chlorophenylmercaptan,1-chloro-4-mercaptobenzene PubChem CID: 7815 IUPAC Name: 4-chlorobenzenethiol SMILES: C1=CC(=CC=C1S)Cl

PubChem CID 7815
CAS 106-54-7
Molecular Weight (g/mol) 144.616
MDL Number MFCD00004847
SMILES C1=CC(=CC=C1S)Cl
Synonym 4-chlorothiophenol,p-chlorothiophenol,benzenethiol, 4-chloro,p-chlorobenzenethiol,p-chlorthiofenol,p-chlorophenylmercaptan,benzenethiol, p-chloro,p-mercaptochlorobenzene,4-chlorophenylmercaptan,1-chloro-4-mercaptobenzene
IUPAC Name 4-chlorobenzenethiol
InChI Key VZXOZSQDJJNBRC-UHFFFAOYSA-N
Molecular Formula C6H5ClS
3,627

1-Iodo-4-nitrobenzene, 98+%

CAS: 636-98-6 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.007 MDL Number: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Synonym: benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I

PubChem CID 12495
CAS 636-98-6
Molecular Weight (g/mol) 249.007
MDL Number MFCD00007299
SMILES C1=CC(=CC=C1[N+](=O)[O-])I
Synonym benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene
IUPAC Name 1-iodo-4-nitrobenzene
InChI Key SCCCFNJTCDSLCY-UHFFFAOYSA-N
Molecular Formula C6H4INO2
3,628

2,4-Bis(trifluoromethyl)benzyl bromide, 97%

CAS: 140690-56-8 Molecular Formula: C9H5BrF6 Molecular Weight (g/mol): 307.033 MDL Number: MFCD00010306 InChI Key: SWFFFUJOWAJJCH-UHFFFAOYSA-N Synonym: 2,4-bis trifluoromethyl benzyl bromide,1-bromomethyl-2,4-bis trifluoromethyl benzene,2,4-bis trifluoromethyl benzylbromide,benzene, 1-bromomethyl-2,4-bis trifluoromethyl,2,4-bis trifluoromethyl-1-bromomethyl benzene,pubchem4879,acmc-1c0tm,2,4-bis-trifluoromethyl-benzylbromide,2,4-bis-trifluoromethyl benzyl bromide,2,4-bis-trifluoromethyl-benzyl bromide PubChem CID: 518871 IUPAC Name: 1-(bromomethyl)-2,4-bis(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CBr

PubChem CID 518871
CAS 140690-56-8
Molecular Weight (g/mol) 307.033
MDL Number MFCD00010306
SMILES C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CBr
Synonym 2,4-bis trifluoromethyl benzyl bromide,1-bromomethyl-2,4-bis trifluoromethyl benzene,2,4-bis trifluoromethyl benzylbromide,benzene, 1-bromomethyl-2,4-bis trifluoromethyl,2,4-bis trifluoromethyl-1-bromomethyl benzene,pubchem4879,acmc-1c0tm,2,4-bis-trifluoromethyl-benzylbromide,2,4-bis-trifluoromethyl benzyl bromide,2,4-bis-trifluoromethyl-benzyl bromide
IUPAC Name 1-(bromomethyl)-2,4-bis(trifluoromethyl)benzene
InChI Key SWFFFUJOWAJJCH-UHFFFAOYSA-N
Molecular Formula C9H5BrF6
3,629

1-Bromo-3-n-hexylbenzene, 97+%

CAS: 38409-59-5 Molecular Formula: C12H17Br Molecular Weight (g/mol): 241.172 MDL Number: MFCD09909567 InChI Key: HZUVRCRPECDFAT-UHFFFAOYSA-N Synonym: 1-bromo-3-n-hexylbenzene,1-bromo-3-hexyl-benzene,3-hexylbromobenzene,3-n-hexyl bromobenzene,#,benzene, 1-bromo-3-hexyl PubChem CID: 563022 IUPAC Name: 1-bromo-3-hexylbenzene SMILES: CCCCCCC1=CC(=CC=C1)Br

PubChem CID 563022
CAS 38409-59-5
Molecular Weight (g/mol) 241.172
MDL Number MFCD09909567
SMILES CCCCCCC1=CC(=CC=C1)Br
Synonym 1-bromo-3-n-hexylbenzene,1-bromo-3-hexyl-benzene,3-hexylbromobenzene,3-n-hexyl bromobenzene,#,benzene, 1-bromo-3-hexyl
IUPAC Name 1-bromo-3-hexylbenzene
InChI Key HZUVRCRPECDFAT-UHFFFAOYSA-N
Molecular Formula C12H17Br
3,630

4-Phenoxybenzonitrile, 96%

CAS: 3096-81-9 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 MDL Number: MFCD00017346 InChI Key: UYHCIOZMFCLUDP-UHFFFAOYSA-N Synonym: benzonitrile, 4-phenoxy,4-phenoxybenzenecarbonitrile,4-cyanodiphenyl ether,acmc-209hjp,4-phenoxybenzonitrile,ksc497e6d PubChem CID: 137821 IUPAC Name: 4-phenoxybenzonitrile SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N

PubChem CID 137821
CAS 3096-81-9
Molecular Weight (g/mol) 195.221
MDL Number MFCD00017346
SMILES C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N
Synonym benzonitrile, 4-phenoxy,4-phenoxybenzenecarbonitrile,4-cyanodiphenyl ether,acmc-209hjp,4-phenoxybenzonitrile,ksc497e6d
IUPAC Name 4-phenoxybenzonitrile
InChI Key UYHCIOZMFCLUDP-UHFFFAOYSA-N
Molecular Formula C13H9NO