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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 (70,151)
Phenols (14,450)
Naphthalenes (5,243)
Fluorenes (1,241)
Unsubstituted Phenols (1,170)
Thiophenols (621)
Phenol esters (580)
Anthracenes (454)
Phenanthrenes and derivatives (340)
Indanes (335)
Tetralins (333)
Triphenyl compounds (277)
Pyrenes (245)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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5,641 – 5,655 of 82,325 results
5,641

3-Fluorothiophenol, 98%

CAS: 2557-77-9 Molecular Formula: C6H5FS Molecular Weight (g/mol): 128.16 MDL Number: MFCD00040227 InChI Key: ZDEUGINAVLMAET-UHFFFAOYSA-N Synonym: 3-fluorothiophenol,m-fluorothiophenol,m-fluorobenzenethiol,3-fluoro thiophenol,benzenethiol, 3-fluoro,3-fluorobenzene-1-thiol,1-fluoro-3-mercaptobenzene,3-fluoro-thiophenol,3-fluoro benzenethiol,3-fluoro-benzenethiol PubChem CID: 75710 IUPAC Name: 3-fluorobenzenethiol SMILES: FC1=CC=CC(S)=C1

PubChem CID 75710
CAS 2557-77-9
Molecular Weight (g/mol) 128.16
MDL Number MFCD00040227
SMILES FC1=CC=CC(S)=C1
Synonym 3-fluorothiophenol,m-fluorothiophenol,m-fluorobenzenethiol,3-fluoro thiophenol,benzenethiol, 3-fluoro,3-fluorobenzene-1-thiol,1-fluoro-3-mercaptobenzene,3-fluoro-thiophenol,3-fluoro benzenethiol,3-fluoro-benzenethiol
IUPAC Name 3-fluorobenzenethiol
InChI Key ZDEUGINAVLMAET-UHFFFAOYSA-N
Molecular Formula C6H5FS
5,642

3-Fluoro-4-methoxybenzyl bromide, 98%

CAS: 331-61-3 Molecular Formula: C8H8BrFO Molecular Weight (g/mol): 219.05 MDL Number: MFCD00671768 InChI Key: KLWYYWVSFYRPLM-UHFFFAOYSA-N Synonym: 3-fluoro-4-methoxybenzyl bromide,4-bromomethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylbromide,4-bromomethyl-2-fluoro-1-methoxy-benzene,benzene, 4-bromomethyl-2-fluoro-1-methoxy,pubchem4923,acmc-1ckmo,4-bromomethyl-2-fluoroanisole PubChem CID: 2774553 IUPAC Name: 4-(bromomethyl)-2-fluoro-1-methoxybenzene SMILES: COC1=CC=C(CBr)C=C1F

PubChem CID 2774553
CAS 331-61-3
Molecular Weight (g/mol) 219.05
MDL Number MFCD00671768
SMILES COC1=CC=C(CBr)C=C1F
Synonym 3-fluoro-4-methoxybenzyl bromide,4-bromomethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylbromide,4-bromomethyl-2-fluoro-1-methoxy-benzene,benzene, 4-bromomethyl-2-fluoro-1-methoxy,pubchem4923,acmc-1ckmo,4-bromomethyl-2-fluoroanisole
IUPAC Name 4-(bromomethyl)-2-fluoro-1-methoxybenzene
InChI Key KLWYYWVSFYRPLM-UHFFFAOYSA-N
Molecular Formula C8H8BrFO
5,643

4-Hydroxy-3-(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™

CAS: 220239-68-9 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD01091008 InChI Key: DPVRVZQEDJVWLS-UHFFFAOYSA-N Synonym: 4-hydroxy-3-trifluoromethyl benzoic acid,benzoic acid, 4-hydroxy-3-trifluoromethyl,4-hydroxy-3-trifluoromethyl benzoicacid,acmc-1cdpd,ksc495o6p,4-hydroxy-3-trifluoromethyl-benzoic acid,4-oxidanyl-3-trifluoromethyl benzoic acid PubChem CID: 2775112 IUPAC Name: 4-hydroxy-3-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=C(O)C=C1)C(F)(F)F

PubChem CID 2775112
CAS 220239-68-9
Molecular Weight (g/mol) 206.12
MDL Number MFCD01091008
SMILES OC(=O)C1=CC(=C(O)C=C1)C(F)(F)F
Synonym 4-hydroxy-3-trifluoromethyl benzoic acid,benzoic acid, 4-hydroxy-3-trifluoromethyl,4-hydroxy-3-trifluoromethyl benzoicacid,acmc-1cdpd,ksc495o6p,4-hydroxy-3-trifluoromethyl-benzoic acid,4-oxidanyl-3-trifluoromethyl benzoic acid
IUPAC Name 4-hydroxy-3-(trifluoromethyl)benzoic acid
InChI Key DPVRVZQEDJVWLS-UHFFFAOYSA-N
Molecular Formula C8H5F3O3
5,644

4-Methylsulfonyl-2-nitrotoluene, 99%

CAS: 1671-49-4 Molecular Formula: C8H9NO4S Molecular Weight (g/mol): 215.22 MDL Number: MFCD00047808 InChI Key: OXBDLEXAVKAJFD-UHFFFAOYSA-N Synonym: 4-methylsulfonyl-2-nitrotoluene,1-methyl-4-methylsulfonyl-2-nitrobenzene,2-nitro-4-methylsulfonyltoluene,4-mesyl-2-nitrotoluene,4-methanesulfonyl-1-methyl-2-nitrobenzene,methyl 3-nitro-p-tolyl sulfone,benzene, 1-methyl-4-methylsulfonyl-2-nitro,2-nitro-4-methylsulf,ksc532k5r,4-methy-2-nitrosulfonyl toluene PubChem CID: 687125 SMILES: CC1=CC=C(C=C1[N+]([O-])=O)S(C)(=O)=O

PubChem CID 687125
CAS 1671-49-4
Molecular Weight (g/mol) 215.22
MDL Number MFCD00047808
SMILES CC1=CC=C(C=C1[N+]([O-])=O)S(C)(=O)=O
Synonym 4-methylsulfonyl-2-nitrotoluene,1-methyl-4-methylsulfonyl-2-nitrobenzene,2-nitro-4-methylsulfonyltoluene,4-mesyl-2-nitrotoluene,4-methanesulfonyl-1-methyl-2-nitrobenzene,methyl 3-nitro-p-tolyl sulfone,benzene, 1-methyl-4-methylsulfonyl-2-nitro,2-nitro-4-methylsulf,ksc532k5r,4-methy-2-nitrosulfonyl toluene
InChI Key OXBDLEXAVKAJFD-UHFFFAOYSA-N
Molecular Formula C8H9NO4S
5,645

4-Amino-2,6-dichlorophenol, 97%

CAS: 5930-28-9 Molecular Formula: C6H5Cl2NO Molecular Weight (g/mol): 178.01 MDL Number: MFCD00007875 InChI Key: KGEXISHTCZHGFT-UHFFFAOYSA-N Synonym: 2,6-dichloro-4-aminophenol,phenol, 4-amino-2,6-dichloro,2,6-dichloro-p-aminophenol,3,5-dichloro-4-hydroxyaniline,unii-i0l4csx5n0,i0l4csx5n0,2,6-dichloro-4-amino phenol,4-amino-2,6-dichloro-phenol,acmc-209mc4,dsstox_cid_20720 PubChem CID: 80037 IUPAC Name: 4-amino-2,6-dichlorophenol SMILES: NC1=CC(Cl)=C(O)C(Cl)=C1

PubChem CID 80037
CAS 5930-28-9
Molecular Weight (g/mol) 178.01
MDL Number MFCD00007875
SMILES NC1=CC(Cl)=C(O)C(Cl)=C1
Synonym 2,6-dichloro-4-aminophenol,phenol, 4-amino-2,6-dichloro,2,6-dichloro-p-aminophenol,3,5-dichloro-4-hydroxyaniline,unii-i0l4csx5n0,i0l4csx5n0,2,6-dichloro-4-amino phenol,4-amino-2,6-dichloro-phenol,acmc-209mc4,dsstox_cid_20720
IUPAC Name 4-amino-2,6-dichlorophenol
InChI Key KGEXISHTCZHGFT-UHFFFAOYSA-N
Molecular Formula C6H5Cl2NO
5,646

4-tert-Pentylphenol, 99%

CAS: 80-46-6 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00002369 InChI Key: NRZWYNLTFLDQQX-UHFFFAOYSA-N Synonym: 4-tert-amylphenol,4-tert-pentylphenol,p-tert-amylphenol,p-tert-pentylphenol,4-t-amylphenol,4-1,1-dimethylpropyl phenol,amilphenol,amilfenol,pentaphen,tert-amylphenol PubChem CID: 6643 ChEBI: CHEBI:35096 IUPAC Name: 4-(2-methylbutan-2-yl)phenol SMILES: CCC(C)(C)C1=CC=C(C=C1)O

PubChem CID 6643
CAS 80-46-6
Molecular Weight (g/mol) 164.248
ChEBI CHEBI:35096
MDL Number MFCD00002369
SMILES CCC(C)(C)C1=CC=C(C=C1)O
Synonym 4-tert-amylphenol,4-tert-pentylphenol,p-tert-amylphenol,p-tert-pentylphenol,4-t-amylphenol,4-1,1-dimethylpropyl phenol,amilphenol,amilfenol,pentaphen,tert-amylphenol
IUPAC Name 4-(2-methylbutan-2-yl)phenol
InChI Key NRZWYNLTFLDQQX-UHFFFAOYSA-N
Molecular Formula C11H16O
5,647

4-(Chloromethyl)benzonitrile, 98+%

CAS: 874-86-2 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00019761 InChI Key: LOQLDQJTSMKBJU-UHFFFAOYSA-N Synonym: 4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile PubChem CID: 70127 IUPAC Name: 4-(chloromethyl)benzonitrile SMILES: C1=CC(=CC=C1CCl)C#N

PubChem CID 70127
CAS 874-86-2
Molecular Weight (g/mol) 151.593
MDL Number MFCD00019761
SMILES C1=CC(=CC=C1CCl)C#N
Synonym 4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile
IUPAC Name 4-(chloromethyl)benzonitrile
InChI Key LOQLDQJTSMKBJU-UHFFFAOYSA-N
Molecular Formula C8H6ClN
5,648

1-n-Hexyl-4-iodobenzene, 98%

CAS: 62150-34-9 Molecular Formula: C12H17I Molecular Weight (g/mol): 288.17 MDL Number: MFCD07777097 InChI Key: QCTCAMDTUGSMJX-UHFFFAOYSA-N Synonym: 1-n-hexyl-4-iodobenzene,benzene, 1-hexyl-4-iodo,4-hexylphenyl iodide PubChem CID: 15001645 IUPAC Name: 1-hexyl-4-iodobenzene SMILES: CCCCCCC1=CC=C(I)C=C1

PubChem CID 15001645
CAS 62150-34-9
Molecular Weight (g/mol) 288.17
MDL Number MFCD07777097
SMILES CCCCCCC1=CC=C(I)C=C1
Synonym 1-n-hexyl-4-iodobenzene,benzene, 1-hexyl-4-iodo,4-hexylphenyl iodide
IUPAC Name 1-hexyl-4-iodobenzene
InChI Key QCTCAMDTUGSMJX-UHFFFAOYSA-N
Molecular Formula C12H17I
5,649

4-Chlorobenzhydrol, 98%

CAS: 119-56-2 Molecular Formula: C13H11ClO Molecular Weight (g/mol): 218.68 MDL Number: MFCD00004491 InChI Key: AJYOOHCNOXWTKJ-UHFFFAOYSA-N Synonym: 4-chlorobenzhydrol,4-chlorophenyl phenyl methanol,p-chlorobenzhydrol,chlorobenzhydrol,benzhydrol, p-chloro,4-chlorodiphenylmethanol,benzhydrol, 4-chloro,4-chlorophenyl phenylmethanol,4-chlorobenzhydryl alcohol,benzenemethanol, 4-chloro-.alpha.-phenyl PubChem CID: 8401 ChEBI: CHEBI:35091 IUPAC Name: (4-chlorophenyl)-phenylmethanol SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O

PubChem CID 8401
CAS 119-56-2
Molecular Weight (g/mol) 218.68
ChEBI CHEBI:35091
MDL Number MFCD00004491
SMILES C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O
Synonym 4-chlorobenzhydrol,4-chlorophenyl phenyl methanol,p-chlorobenzhydrol,chlorobenzhydrol,benzhydrol, p-chloro,4-chlorodiphenylmethanol,benzhydrol, 4-chloro,4-chlorophenyl phenylmethanol,4-chlorobenzhydryl alcohol,benzenemethanol, 4-chloro-.alpha.-phenyl
IUPAC Name (4-chlorophenyl)-phenylmethanol
InChI Key AJYOOHCNOXWTKJ-UHFFFAOYSA-N
Molecular Formula C13H11ClO
5,650

4-(Methylthio)benzeneboronic acid, 97%

CAS: 98546-51-1 Molecular Formula: C7H9BO2S Molecular Weight (g/mol): 168.017 MDL Number: MFCD00093410 InChI Key: IVUHTLFKBDDICS-UHFFFAOYSA-N Synonym: 4-methylthio phenylboronic acid,4-thioanisoleboronic acid,4-methylsulfanyl phenylboronic acid,4-methylthiophenylboronic acid,4-methylthio phenyl boronic acid,4-methylsulfanylphenyl boronic acid,4-methylthio phenylboronicacid,4-methylthio benzeneboronic acid,thioanisole-4-boronic acid,4-methylmercapto benzeneboronic acid PubChem CID: 2733959 IUPAC Name: (4-methylsulfanylphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)SC)(O)O

PubChem CID 2733959
CAS 98546-51-1
Molecular Weight (g/mol) 168.017
MDL Number MFCD00093410
SMILES B(C1=CC=C(C=C1)SC)(O)O
Synonym 4-methylthio phenylboronic acid,4-thioanisoleboronic acid,4-methylsulfanyl phenylboronic acid,4-methylthiophenylboronic acid,4-methylthio phenyl boronic acid,4-methylsulfanylphenyl boronic acid,4-methylthio phenylboronicacid,4-methylthio benzeneboronic acid,thioanisole-4-boronic acid,4-methylmercapto benzeneboronic acid
IUPAC Name (4-methylsulfanylphenyl)boronic acid
InChI Key IVUHTLFKBDDICS-UHFFFAOYSA-N
Molecular Formula C7H9BO2S
5,651

Isoeugenol, cis + trans, 98%

CAS: 97-54-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Synonym: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 IUPAC Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol SMILES: COC1=CC(\C=C\C)=CC=C1O

PubChem CID 853433
CAS 97-54-1
Molecular Weight (g/mol) 164.20
ChEBI CHEBI:50545
MDL Number MFCD00009285
SMILES COC1=CC(\C=C\C)=CC=C1O
Synonym isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene
IUPAC Name 2-methoxy-4-[(E)-prop-1-enyl]phenol
InChI Key BJIOGJUNALELMI-ONEGZZNKSA-N
Molecular Formula C10H12O2
5,652

3-(Trifluoromethyl)benzylamine, 97%

CAS: 2740-83-2 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.154 MDL Number: MFCD00008117 InChI Key: YKNZTUQUXUXTLE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine PubChem CID: 75962 IUPAC Name: [3-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN

PubChem CID 75962
CAS 2740-83-2
Molecular Weight (g/mol) 175.154
MDL Number MFCD00008117
SMILES C1=CC(=CC(=C1)C(F)(F)F)CN
Synonym 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine
IUPAC Name [3-(trifluoromethyl)phenyl]methanamine
InChI Key YKNZTUQUXUXTLE-UHFFFAOYSA-N
Molecular Formula C8H8F3N
5,653

2,3-Difluorotoluene, 97%, Thermo Scientific™

CAS: 3828-49-7 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.12 MDL Number: MFCD01631506 InChI Key: ZNEHIDGAPGVZSA-UHFFFAOYSA-N Synonym: 2,3-difluorotoluene,1,2-difluoro-3-methyl-benzene,benzene, 1,2-difluoro-3-methyl,2,3-difluoro methyl benzene,pubchem1610,2,3-difluoro toluene,acmc-209iz4,2.3-difluoro methyl benzene,ksc493c6t PubChem CID: 2774228 IUPAC Name: 1,2-difluoro-3-methylbenzene SMILES: CC1=CC=CC(F)=C1F

PubChem CID 2774228
CAS 3828-49-7
Molecular Weight (g/mol) 128.12
MDL Number MFCD01631506
SMILES CC1=CC=CC(F)=C1F
Synonym 2,3-difluorotoluene,1,2-difluoro-3-methyl-benzene,benzene, 1,2-difluoro-3-methyl,2,3-difluoro methyl benzene,pubchem1610,2,3-difluoro toluene,acmc-209iz4,2.3-difluoro methyl benzene,ksc493c6t
IUPAC Name 1,2-difluoro-3-methylbenzene
InChI Key ZNEHIDGAPGVZSA-UHFFFAOYSA-N
Molecular Formula C7H6F2
5,654

Methyl 2-bromo-5-nitrobenzoate, 98+%

CAS: 6942-36-5 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00010867 InChI Key: VSEYYEKRZNRECT-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate PubChem CID: 245494 IUPAC Name: methyl 2-bromo-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br

PubChem CID 245494
CAS 6942-36-5
Molecular Weight (g/mol) 260.043
MDL Number MFCD00010867
SMILES COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br
Synonym 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate
IUPAC Name methyl 2-bromo-5-nitrobenzoate
InChI Key VSEYYEKRZNRECT-UHFFFAOYSA-N
Molecular Formula C8H6BrNO4
5,655

cis-Dichlorobis(triphenylphosphine)platinum(II), Pt 24.2% min

CAS: 15604-36-1 Molecular Formula: C36H30Cl2P2Pt Molecular Weight (g/mol): 790.57 MDL Number: MFCD00010825 InChI Key: ILIBUWCDNDIUOT-UHFFFAOYSA-L Synonym: cis-?dichlorobis triphenylphosphine ?platinum ii PubChem CID: 131667321 IUPAC Name: platinum(2+);triphenylphosphane;dihydrochloride SMILES: Cl[Pt++]Cl.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 131667321
CAS 15604-36-1
Molecular Weight (g/mol) 790.57
MDL Number MFCD00010825
SMILES Cl[Pt++]Cl.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym cis-?dichlorobis triphenylphosphine ?platinum ii
IUPAC Name platinum(2+);triphenylphosphane;dihydrochloride
InChI Key ILIBUWCDNDIUOT-UHFFFAOYSA-L
Molecular Formula C36H30Cl2P2Pt