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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 (63,568)
Phenols (11,502)
Naphthalenes (4,972)
Fluorenes (1,228)
Unsubstituted Phenols (1,165)
Thiophenols (622)
Phenol esters (521)
Anthracenes (398)
Tetralins (320)
Phenanthrenes and derivatives (298)
Triphenyl compounds (285)
Indanes (266)
Pyrenes (213)
Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Pentacenequinones (16)
Pentacenes (15)
Acenaphthylenes (9)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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31 – 45 of 72,091 results
31

1-Ethynyl-2-fluorobenzene, 97%, Thermo Scientific Chemicals

CAS: 766-49-4 Molecular Formula: C8H5F Molecular Weight (g/mol): 120.13 MDL Number: MFCD00799540 InChI Key: YFPQIXUNBPQKQR-UHFFFAOYSA-N Synonym: 2-fluorophenylacetylene,2'-fluorophenyl acetylene,1-ethynyl-2-fluoro-benzene,2'-fluorophenylacetylene,2-fluorophenylethyne,o-fluorophenylacetylene,benzene, ethynylfluoro,2-fluoro-phenylacetylene,2-fluorophenyl-ethyne,2-fluorophenyl acetylene PubChem CID: 643358 IUPAC Name: 1-ethynyl-2-fluorobenzene SMILES: FC1=CC=CC=C1C#C

EDGE
PubChem CID 643358
CAS 766-49-4
Molecular Weight (g/mol) 120.13
MDL Number MFCD00799540
SMILES FC1=CC=CC=C1C#C
Synonym 2-fluorophenylacetylene,2'-fluorophenyl acetylene,1-ethynyl-2-fluoro-benzene,2'-fluorophenylacetylene,2-fluorophenylethyne,o-fluorophenylacetylene,benzene, ethynylfluoro,2-fluoro-phenylacetylene,2-fluorophenyl-ethyne,2-fluorophenyl acetylene
IUPAC Name 1-ethynyl-2-fluorobenzene
InChI Key YFPQIXUNBPQKQR-UHFFFAOYSA-N
Molecular Formula C8H5F
32

2-Bromobenzyl alcohol, 98%

CAS: 18982-54-2 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00004600 InChI Key: IOWGHQGLUMEZKG-UHFFFAOYSA-N Synonym: 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746 PubChem CID: 72850 IUPAC Name: (2-bromophenyl)methanol SMILES: OCC1=CC=CC=C1Br

EDGE
PubChem CID 72850
CAS 18982-54-2
Molecular Weight (g/mol) 187.04
MDL Number MFCD00004600
SMILES OCC1=CC=CC=C1Br
Synonym 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746
IUPAC Name (2-bromophenyl)methanol
InChI Key IOWGHQGLUMEZKG-UHFFFAOYSA-N
Molecular Formula C7H7BrO
33

o-Phenylenediacetonitrile, 99+%

CAS: 613-73-0 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00001905 InChI Key: FWPFXBANOKKNBR-UHFFFAOYSA-N Synonym: 1,2-phenylenediacetonitrile,o-phenylenediacetonitrile,1,2-bis cyanomethyl benzene,o-xylylene dicyanide,2-2-cyanomethyl phenyl acetonitrile,o-benzenediacetonitrile,2,2'-1,2-phenylene diacetonitrile,o-bis cyanomethyl benzene,1,2-benzenediacetonitrile,o-benzendiacetonitrile PubChem CID: 69180 IUPAC Name: 2-[2-(cyanomethyl)phenyl]acetonitrile SMILES: N#CCC1=CC=CC=C1CC#N

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PubChem CID 69180
CAS 613-73-0
Molecular Weight (g/mol) 156.19
MDL Number MFCD00001905
SMILES N#CCC1=CC=CC=C1CC#N
Synonym 1,2-phenylenediacetonitrile,o-phenylenediacetonitrile,1,2-bis cyanomethyl benzene,o-xylylene dicyanide,2-2-cyanomethyl phenyl acetonitrile,o-benzenediacetonitrile,2,2'-1,2-phenylene diacetonitrile,o-bis cyanomethyl benzene,1,2-benzenediacetonitrile,o-benzendiacetonitrile
IUPAC Name 2-[2-(cyanomethyl)phenyl]acetonitrile
InChI Key FWPFXBANOKKNBR-UHFFFAOYSA-N
Molecular Formula C10H8N2
34

3,4-Dichlorobenzyl bromide, 97%

CAS: 18880-04-1 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.93 MDL Number: MFCD00041363 InChI Key: XLWSBDFQAJXCQX-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 PubChem CID: 639726 IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene SMILES: C1=CC(=C(C=C1CBr)Cl)Cl

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PubChem CID 639726
CAS 18880-04-1
Molecular Weight (g/mol) 239.93
MDL Number MFCD00041363
SMILES C1=CC(=C(C=C1CBr)Cl)Cl
Synonym 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763
IUPAC Name 4-(bromomethyl)-1,2-dichlorobenzene
InChI Key XLWSBDFQAJXCQX-UHFFFAOYSA-N
Molecular Formula C7H5BrCl2
35

3-(3,5-Dichlorophenoxy)benzaldehyde, 95%, Thermo Scientific™

CAS: 81028-92-4 Molecular Formula: C13H8Cl2O2 Molecular Weight (g/mol): 267.11 MDL Number: MFCD00003355 InChI Key: BISWHYILBVQCRA-UHFFFAOYSA-N Synonym: 3-3,5-dichlorophenoxy benzaldehyde,3-3,5-dichorophenoxy benzaldehyde,m-3,5-dichlorophenoxy benzaldehyde,3,5-dichloro-3'-formyldiphenyl ether,benzaldehyde,3-3,5-dichlorophenoxy,benzaldehyde, 3-3,5-dichlorophenoxy,pubchem16379,acmc-20anl8,timtec-bb sbb003061,3-3?5-dichlorophenoxy benzaldehyde PubChem CID: 688050 IUPAC Name: 3-(3,5-dichlorophenoxy)benzaldehyde SMILES: ClC1=CC(OC2=CC=CC(C=O)=C2)=CC(Cl)=C1

EDGE
PubChem CID 688050
CAS 81028-92-4
Molecular Weight (g/mol) 267.11
MDL Number MFCD00003355
SMILES ClC1=CC(OC2=CC=CC(C=O)=C2)=CC(Cl)=C1
Synonym 3-3,5-dichlorophenoxy benzaldehyde,3-3,5-dichorophenoxy benzaldehyde,m-3,5-dichlorophenoxy benzaldehyde,3,5-dichloro-3'-formyldiphenyl ether,benzaldehyde,3-3,5-dichlorophenoxy,benzaldehyde, 3-3,5-dichlorophenoxy,pubchem16379,acmc-20anl8,timtec-bb sbb003061,3-3?5-dichlorophenoxy benzaldehyde
IUPAC Name 3-(3,5-dichlorophenoxy)benzaldehyde
InChI Key BISWHYILBVQCRA-UHFFFAOYSA-N
Molecular Formula C13H8Cl2O2
36

2-Methyl-1-tetralone, 98%

CAS: 1590-08-5 Molecular Formula: C11H12O Molecular Weight (g/mol): 160.22 MDL Number: MFCD00001690 InChI Key: GANIBVZSZGNMNB-UHFFFAOYSA-N Synonym: 2-methyl-1-tetralone,2-methyl-3,4-dihydronaphthalen-1 2h-one,1 2h-naphthalenone, 3,4-dihydro-2-methyl,2-methyltetralin-1-one,2-methyl-1,2,3,4-tetrahydronaphthalen-1-one,2-methyl-2,3,4-trihydronaphthalen-1-one,2-methyltetralone,2-methyl-1-tetralon,acmc-20anr7,2-methyl-alpha-tetralone PubChem CID: 102650 IUPAC Name: 2-methyl-3,4-dihydro-2H-naphthalen-1-one SMILES: CC1CCC2=CC=CC=C2C1=O

EDGE
PubChem CID 102650
CAS 1590-08-5
Molecular Weight (g/mol) 160.22
MDL Number MFCD00001690
SMILES CC1CCC2=CC=CC=C2C1=O
Synonym 2-methyl-1-tetralone,2-methyl-3,4-dihydronaphthalen-1 2h-one,1 2h-naphthalenone, 3,4-dihydro-2-methyl,2-methyltetralin-1-one,2-methyl-1,2,3,4-tetrahydronaphthalen-1-one,2-methyl-2,3,4-trihydronaphthalen-1-one,2-methyltetralone,2-methyl-1-tetralon,acmc-20anr7,2-methyl-alpha-tetralone
IUPAC Name 2-methyl-3,4-dihydro-2H-naphthalen-1-one
InChI Key GANIBVZSZGNMNB-UHFFFAOYSA-N
Molecular Formula C11H12O
37

3-Methylstyrene, 95%

CAS: 100-80-1 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 InChI Key: JZHGRUMIRATHIU-UHFFFAOYSA-N Synonym: 3-methylstyrene,3-vinyltoluene,1-methyl-3-vinylbenzene,m-vinyltoluene,m-methylstyrene,benzene, 1-ethenyl-3-methyl,styrene, m-methyl,m-methyl styrene,meta-methylstyrene,unii-ffk4i9430g PubChem CID: 7529 IUPAC Name: 1-ethenyl-3-methylbenzene SMILES: CC1=CC=CC(=C1)C=C

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PubChem CID 7529
CAS 100-80-1
Molecular Weight (g/mol) 118.18
SMILES CC1=CC=CC(=C1)C=C
Synonym 3-methylstyrene,3-vinyltoluene,1-methyl-3-vinylbenzene,m-vinyltoluene,m-methylstyrene,benzene, 1-ethenyl-3-methyl,styrene, m-methyl,m-methyl styrene,meta-methylstyrene,unii-ffk4i9430g
IUPAC Name 1-ethenyl-3-methylbenzene
InChI Key JZHGRUMIRATHIU-UHFFFAOYSA-N
Molecular Formula C9H10
38

mono-Methyl terephthalate, 97%

CAS: 1679-64-7 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002557 InChI Key: REIDAMBAPLIATC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate PubChem CID: 15513 IUPAC Name: 4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O

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PubChem CID 15513
CAS 1679-64-7
Molecular Weight (g/mol) 180.16
MDL Number MFCD00002557
SMILES COC(=O)C1=CC=C(C=C1)C(=O)O
Synonym 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate
IUPAC Name 4-methoxycarbonylbenzoic acid
InChI Key REIDAMBAPLIATC-UHFFFAOYSA-N
Molecular Formula C9H8O4
39

o-Anisidine, 98+%

CAS: 90-04-0 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007688 InChI Key: VMPITZXILSNTON-UHFFFAOYSA-N Synonym: o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine PubChem CID: 7000 ChEBI: CHEBI:82288 IUPAC Name: 2-methoxyaniline SMILES: COC1=CC=CC=C1N

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PubChem CID 7000
CAS 90-04-0
Molecular Weight (g/mol) 123.15
ChEBI CHEBI:82288
MDL Number MFCD00007688
SMILES COC1=CC=CC=C1N
Synonym o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine
IUPAC Name 2-methoxyaniline
InChI Key VMPITZXILSNTON-UHFFFAOYSA-N
Molecular Formula C7H9NO
40

4-Fluorophenylacetic acid, 98%

CAS: 405-50-5 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004343 InChI Key: MGKPFALCNDRSQD-UHFFFAOYSA-N Synonym: 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid PubChem CID: 9837 IUPAC Name: 2-(4-fluorophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)F

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PubChem CID 9837
CAS 405-50-5
Molecular Weight (g/mol) 154.14
MDL Number MFCD00004343
SMILES C1=CC(=CC=C1CC(=O)O)F
Synonym 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid
IUPAC Name 2-(4-fluorophenyl)acetic acid
InChI Key MGKPFALCNDRSQD-UHFFFAOYSA-N
Molecular Formula C8H7FO2
41

9-Ethynyl-9-fluorenol, Thermo Scientific™

CAS: 13461-74-0 MDL Number: MFCD00041555 InChI Key: MMZVVJGCZZAWBN-UHFFFAOYSA-N Synonym: 9-ethynyl-9-fluorenol,9-ethynyl-9h-fluoren-9-ol,acmc-209bwd,9-ethynyl-9-hydroxyfluorene,9-ethinyl-9-hydroxy-fluorene,9h-fluoren-9-ol,9-ethynyl,9-ethynyl-9h-fluoren-9-ol #,mmzvvjgczzawbn-uhfffaoysa,9-hydroxy-9-fluorenyl acetylene,9-ethynyl-9-fluorenol, PubChem CID: 518771 IUPAC Name: 9-ethynylfluoren-9-ol SMILES: C#CC1(C2=CC=CC=C2C3=CC=CC=C31)O

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PubChem CID 518771
CAS 13461-74-0
MDL Number MFCD00041555
SMILES C#CC1(C2=CC=CC=C2C3=CC=CC=C31)O
Synonym 9-ethynyl-9-fluorenol,9-ethynyl-9h-fluoren-9-ol,acmc-209bwd,9-ethynyl-9-hydroxyfluorene,9-ethinyl-9-hydroxy-fluorene,9h-fluoren-9-ol,9-ethynyl,9-ethynyl-9h-fluoren-9-ol #,mmzvvjgczzawbn-uhfffaoysa,9-hydroxy-9-fluorenyl acetylene,9-ethynyl-9-fluorenol,
IUPAC Name 9-ethynylfluoren-9-ol
InChI Key MMZVVJGCZZAWBN-UHFFFAOYSA-N
42

4-Aminophenyl ether, 98%

CAS: 101-80-4 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.24 MDL Number: MFCD00007863 InChI Key: HLBLWEWZXPIGSM-UHFFFAOYSA-N Synonym: 4,4'-oxydianiline,4,4'-diaminodiphenyl ether,4,4-oxydianiline,4-aminophenyl ether,4,4'-oxybisbenzenamine,oxydianiline,4-4-aminophenoxy aniline,diaminodiphenyl ether,benzenamine, 4,4'-oxybis,p,p'-oxydianiline PubChem CID: 7579 ChEBI: CHEBI:34384 IUPAC Name: 4-(4-aminophenoxy)aniline SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N

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PubChem CID 7579
CAS 101-80-4
Molecular Weight (g/mol) 200.24
ChEBI CHEBI:34384
MDL Number MFCD00007863
SMILES C1=CC(=CC=C1N)OC2=CC=C(C=C2)N
Synonym 4,4'-oxydianiline,4,4'-diaminodiphenyl ether,4,4-oxydianiline,4-aminophenyl ether,4,4'-oxybisbenzenamine,oxydianiline,4-4-aminophenoxy aniline,diaminodiphenyl ether,benzenamine, 4,4'-oxybis,p,p'-oxydianiline
IUPAC Name 4-(4-aminophenoxy)aniline
InChI Key HLBLWEWZXPIGSM-UHFFFAOYSA-N
Molecular Formula C12H12N2O
43

2-Bromo-4,5-difluorobenzoic acid, 97%

CAS: 64695-84-7 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237 MDL Number: MFCD04973422 InChI Key: DGCBGBZYTNTZJH-UHFFFAOYSA-N Synonym: 2-bromo-4,5-difluorobenzoicacid,2-bromo-4,5-difluoro-benzoic acid,benzoic acid, 2-bromo-4,5-difluoro,pubchem4991,acmc-209nnq,ksc495k3l,benzoic acid,2-bromo-4,5-difluoro,2-bromo-4,5-difluorobenzoic acid,2-bromanyl-4,5-bis fluoranyl benzoic acid PubChem CID: 2782789 IUPAC Name: 2-bromo-4,5-difluorobenzoic acid SMILES: C1=C(C(=CC(=C1F)F)Br)C(=O)O

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PubChem CID 2782789
CAS 64695-84-7
Molecular Weight (g/mol) 237
MDL Number MFCD04973422
SMILES C1=C(C(=CC(=C1F)F)Br)C(=O)O
Synonym 2-bromo-4,5-difluorobenzoicacid,2-bromo-4,5-difluoro-benzoic acid,benzoic acid, 2-bromo-4,5-difluoro,pubchem4991,acmc-209nnq,ksc495k3l,benzoic acid,2-bromo-4,5-difluoro,2-bromo-4,5-difluorobenzoic acid,2-bromanyl-4,5-bis fluoranyl benzoic acid
IUPAC Name 2-bromo-4,5-difluorobenzoic acid
InChI Key DGCBGBZYTNTZJH-UHFFFAOYSA-N
Molecular Formula C7H3BrF2O2
44

4-Ethylbenzaldehyde, 98%

CAS: 4748-78-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00006956 InChI Key: QNGNSVIICDLXHT-UHFFFAOYSA-N PubChem CID: 20861 IUPAC Name: 4-ethylbenzaldehyde SMILES: CCC1=CC=C(C=C1)C=O

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PubChem CID 20861
CAS 4748-78-1
Molecular Weight (g/mol) 134.18
MDL Number MFCD00006956
SMILES CCC1=CC=C(C=C1)C=O
IUPAC Name 4-ethylbenzaldehyde
InChI Key QNGNSVIICDLXHT-UHFFFAOYSA-N
Molecular Formula C9H10O
45

Pentafluorobenzonitrile, 99%

CAS: 773-82-0 Molecular Formula: C7F5N Molecular Weight (g/mol): 193.07 InChI Key: YXWJGZQOGXGSSC-UHFFFAOYSA-N Synonym: pentafluorobenzonitrile,perfluorobenzonitrile,benzonitrile, pentafluoro,pentafluorocyanobenzene,benzonitrile, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro benzonitrile,2,3,4,5,6-pentafluorobenzenecarbonitrile,cyanopentafluorobenzene,pubchem2319,acmc-209p9k PubChem CID: 69882 IUPAC Name: 2,3,4,5,6-pentafluorobenzonitrile SMILES: C(#N)C1=C(C(=C(C(=C1F)F)F)F)F

EDGE
PubChem CID 69882
CAS 773-82-0
Molecular Weight (g/mol) 193.07
SMILES C(#N)C1=C(C(=C(C(=C1F)F)F)F)F
Synonym pentafluorobenzonitrile,perfluorobenzonitrile,benzonitrile, pentafluoro,pentafluorocyanobenzene,benzonitrile, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro benzonitrile,2,3,4,5,6-pentafluorobenzenecarbonitrile,cyanopentafluorobenzene,pubchem2319,acmc-209p9k
IUPAC Name 2,3,4,5,6-pentafluorobenzonitrile
InChI Key YXWJGZQOGXGSSC-UHFFFAOYSA-N
Molecular Formula C7F5N