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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 (64,925)
Phenols (11,912)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (609)
Phenol esters (426)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
Triphenyl compounds (290)
Indanes (288)
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Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Acenaphthylenes (16)
Pentacenequinones (16)
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Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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9,526 – 9,540 of 73,815 results
9,526

Triammonium 4-Sulfophthalate (contains 3-Sulfophthalate) 65.0+%, TCI America™
SDP

CAS: 22411-24-1 Molecular Formula: C8H15N3O7S Molecular Weight (g/mol): 297.28 MDL Number: MFCD00134235 InChI Key: RMPQIFXEQFYSEM-UHFFFAOYSA-N Synonym: 4-Sulfophthalic Acid Triammonium Salt PubChem CID: 122359803 IUPAC Name: 4-sulfobenzene-1,2-dicarboxylic acid triamine SMILES: N.N.N.OC(=O)C1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O

PubChem CID 122359803
CAS 22411-24-1
Molecular Weight (g/mol) 297.28
MDL Number MFCD00134235
SMILES N.N.N.OC(=O)C1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O
Synonym 4-Sulfophthalic Acid Triammonium Salt
IUPAC Name 4-sulfobenzene-1,2-dicarboxylic acid triamine
InChI Key RMPQIFXEQFYSEM-UHFFFAOYSA-N
Molecular Formula C8H15N3O7S
9,527

4-Heptylphenol 98.0+%, TCI America™
SDP

CAS: 1987-50-4 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.302 MDL Number: MFCD00041751 InChI Key: KNDDEFBFJLKPFE-UHFFFAOYSA-N Synonym: 4-n-heptylphenol,phenol, 4-heptyl,p-heptylphenol,heptanyl-p-phenol,p-hydroxyheptylbenzene,phenol, heptyl derivs.,p-n-heptylphenol,unii-i743z35dvb,phenol, heptenylated,p-heptyl phenol PubChem CID: 16143 ChEBI: CHEBI:34438 IUPAC Name: 4-heptylphenol SMILES: CCCCCCCC1=CC=C(C=C1)O

PubChem CID 16143
CAS 1987-50-4
Molecular Weight (g/mol) 192.302
ChEBI CHEBI:34438
MDL Number MFCD00041751
SMILES CCCCCCCC1=CC=C(C=C1)O
Synonym 4-n-heptylphenol,phenol, 4-heptyl,p-heptylphenol,heptanyl-p-phenol,p-hydroxyheptylbenzene,phenol, heptyl derivs.,p-n-heptylphenol,unii-i743z35dvb,phenol, heptenylated,p-heptyl phenol
IUPAC Name 4-heptylphenol
InChI Key KNDDEFBFJLKPFE-UHFFFAOYSA-N
Molecular Formula C13H20O
9,528

2-(4-Fluorophenyl)thiophene 95.0+%, TCI America™
SDP

CAS: 58861-48-6 Molecular Formula: C10H7FS Molecular Weight (g/mol): 178.224 MDL Number: MFCD06802535 InChI Key: PURJRGMZIKXDMW-UHFFFAOYSA-N PubChem CID: 21894783 IUPAC Name: 2-(4-fluorophenyl)thiophene SMILES: C1=CSC(=C1)C2=CC=C(C=C2)F

PubChem CID 21894783
CAS 58861-48-6
Molecular Weight (g/mol) 178.224
MDL Number MFCD06802535
SMILES C1=CSC(=C1)C2=CC=C(C=C2)F
IUPAC Name 2-(4-fluorophenyl)thiophene
InChI Key PURJRGMZIKXDMW-UHFFFAOYSA-N
Molecular Formula C10H7FS
9,529

4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane 98.0+%, TCI America™
SDP

CAS: 827614-70-0 Molecular Formula: C12H14BF3O2 Molecular Weight (g/mol): 258.047 MDL Number: MFCD05663885 InChI Key: VFCTUUBAONBDJU-UHFFFAOYSA-N Synonym: 3,4,5-Trifluorophenylboronic Acid Pinacol Ester, 1,2,3-Trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene PubChem CID: 2760701 IUPAC Name: 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)F)F

PubChem CID 2760701
CAS 827614-70-0
Molecular Weight (g/mol) 258.047
MDL Number MFCD05663885
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)F)F
Synonym 3,4,5-Trifluorophenylboronic Acid Pinacol Ester, 1,2,3-Trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene
IUPAC Name 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane
InChI Key VFCTUUBAONBDJU-UHFFFAOYSA-N
Molecular Formula C12H14BF3O2
9,530

3-Amino-4-methylbenzyl Alcohol 98.0+%, TCI America™
SDP

CAS: 81863-45-8 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00075051 InChI Key: BCQKYGYTOHXGLL-UHFFFAOYSA-N PubChem CID: 586243 IUPAC Name: (3-amino-4-methylphenyl)methanol SMILES: CC1=C(N)C=C(CO)C=C1

PubChem CID 586243
CAS 81863-45-8
Molecular Weight (g/mol) 137.18
MDL Number MFCD00075051
SMILES CC1=C(N)C=C(CO)C=C1
IUPAC Name (3-amino-4-methylphenyl)methanol
InChI Key BCQKYGYTOHXGLL-UHFFFAOYSA-N
Molecular Formula C8H11NO
9,531

2-Amino-5-bromobenzaldehyde 98.0+%, TCI America™
SDP

CAS: 29124-57-0 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD10696879 InChI Key: VBYZWJMZASVGNB-UHFFFAOYSA-N Synonym: 2-amino-5-bromobenzenecarbaldehyde,5-bromoanthranilaldehyde,4-bromo-2-formylaniline,benzaldehyde,2-amino-5-bromo,benzaldehyde, 2-amino-5-bromo,pubchem19693,aminobromobenzenecarbaldehyde,2-amino-5-bromobenzaidehyde,2-amino-5-bromo-benzaldehyde PubChem CID: 23510475 IUPAC Name: 2-amino-5-bromobenzaldehyde SMILES: C1=CC(=C(C=C1Br)C=O)N

PubChem CID 23510475
CAS 29124-57-0
Molecular Weight (g/mol) 200.035
MDL Number MFCD10696879
SMILES C1=CC(=C(C=C1Br)C=O)N
Synonym 2-amino-5-bromobenzenecarbaldehyde,5-bromoanthranilaldehyde,4-bromo-2-formylaniline,benzaldehyde,2-amino-5-bromo,benzaldehyde, 2-amino-5-bromo,pubchem19693,aminobromobenzenecarbaldehyde,2-amino-5-bromobenzaidehyde,2-amino-5-bromo-benzaldehyde
IUPAC Name 2-amino-5-bromobenzaldehyde
InChI Key VBYZWJMZASVGNB-UHFFFAOYSA-N
Molecular Formula C7H6BrNO
9,532

3-Chlorobenzyl Alcohol 97.0+%, TCI America™
SDP

CAS: 873-63-2 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00004632 InChI Key: ZSRDNPVYGSFUMD-UHFFFAOYSA-N Synonym: 3-chlorobenzyl alcohol,3-chlorophenyl methanol,m-chlorobenzyl alcohol,benzenemethanol, 3-chloro,3-chlorobenzylalcohol,3-chlorophenyl methan-1-ol,m-chlorobenzylalcohol,3-chlorobenyl alcohol,pubchem3626,acmc-209qjt PubChem CID: 70117 IUPAC Name: (3-chlorophenyl)methanol SMILES: C1=CC(=CC(=C1)Cl)CO

PubChem CID 70117
CAS 873-63-2
Molecular Weight (g/mol) 142.582
MDL Number MFCD00004632
SMILES C1=CC(=CC(=C1)Cl)CO
Synonym 3-chlorobenzyl alcohol,3-chlorophenyl methanol,m-chlorobenzyl alcohol,benzenemethanol, 3-chloro,3-chlorobenzylalcohol,3-chlorophenyl methan-1-ol,m-chlorobenzylalcohol,3-chlorobenyl alcohol,pubchem3626,acmc-209qjt
IUPAC Name (3-chlorophenyl)methanol
InChI Key ZSRDNPVYGSFUMD-UHFFFAOYSA-N
Molecular Formula C7H7ClO
9,533

1,2-Dichloro-3-iodobenzene 98.0+%, TCI America™
SDP

CAS: 2401-21-0 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.894 MDL Number: MFCD00001034 InChI Key: VGJKBWPZBVBXGI-UHFFFAOYSA-N Synonym: 2,3-dichloroiodobenzene,2,3-dichloro-1-iodobenzene,2,3-dichloro iodobenzene,dichloroiodobenzene,benzene, dichloroiodo,benzene, 1,2-dichloro-3-iodo,1,2-dichloro-3-iodo-benzene,pubchem3690,2,3-dichloro-iodobenzene,acmc-209g7t PubChem CID: 75459 IUPAC Name: 1,2-dichloro-3-iodobenzene SMILES: C1=CC(=C(C(=C1)I)Cl)Cl

PubChem CID 75459
CAS 2401-21-0
Molecular Weight (g/mol) 272.894
MDL Number MFCD00001034
SMILES C1=CC(=C(C(=C1)I)Cl)Cl
Synonym 2,3-dichloroiodobenzene,2,3-dichloro-1-iodobenzene,2,3-dichloro iodobenzene,dichloroiodobenzene,benzene, dichloroiodo,benzene, 1,2-dichloro-3-iodo,1,2-dichloro-3-iodo-benzene,pubchem3690,2,3-dichloro-iodobenzene,acmc-209g7t
IUPAC Name 1,2-dichloro-3-iodobenzene
InChI Key VGJKBWPZBVBXGI-UHFFFAOYSA-N
Molecular Formula C6H3Cl2I
9,534

alpha,alpha,alpha',alpha',4-Pentabromo-o-xylene 97.0+%, TCI America™
SDP

CAS: 4235-46-5 Molecular Formula: C8H5Br5 Molecular Weight (g/mol): 500.65 MDL Number: MFCD00465850 InChI Key: MSKRZYXIEGFYFD-UHFFFAOYSA-N Synonym: 4-Bromo-1,2-bis(dibromomethyl)benzene PubChem CID: 5151205 IUPAC Name: 4-bromo-1,2-bis(dibromomethyl)benzene SMILES: BrC(Br)C1=C(C=C(Br)C=C1)C(Br)Br

PubChem CID 5151205
CAS 4235-46-5
Molecular Weight (g/mol) 500.65
MDL Number MFCD00465850
SMILES BrC(Br)C1=C(C=C(Br)C=C1)C(Br)Br
Synonym 4-Bromo-1,2-bis(dibromomethyl)benzene
IUPAC Name 4-bromo-1,2-bis(dibromomethyl)benzene
InChI Key MSKRZYXIEGFYFD-UHFFFAOYSA-N
Molecular Formula C8H5Br5
9,535

2,3,5,6-Tetrafluoro-1,4-phenylenediamine 98.0+%, TCI America™
SDP

CAS: 1198-64-7 Molecular Formula: C6H4F4N2 Molecular Weight (g/mol): 180.11 MDL Number: MFCD00039767 InChI Key: FVFYRXJKYAVFSB-UHFFFAOYSA-N Synonym: 1,4-Diamino-2,3,5,6-tetrafluorobenzene PubChem CID: 70979 IUPAC Name: tetrafluorobenzene-1,4-diamine SMILES: NC1=C(F)C(F)=C(N)C(F)=C1F

PubChem CID 70979
CAS 1198-64-7
Molecular Weight (g/mol) 180.11
MDL Number MFCD00039767
SMILES NC1=C(F)C(F)=C(N)C(F)=C1F
Synonym 1,4-Diamino-2,3,5,6-tetrafluorobenzene
IUPAC Name tetrafluorobenzene-1,4-diamine
InChI Key FVFYRXJKYAVFSB-UHFFFAOYSA-N
Molecular Formula C6H4F4N2
9,536

2,4,5-Trihydroxybenzaldehyde 98.0+%, TCI America™
SDP

CAS: 35094-87-2 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00016592 InChI Key: WNCNWLVQSHZVKV-UHFFFAOYSA-N PubChem CID: 643387 IUPAC Name: 2,4,5-trihydroxybenzaldehyde SMILES: OC1=CC(O)=C(C=O)C=C1O

PubChem CID 643387
CAS 35094-87-2
Molecular Weight (g/mol) 154.12
MDL Number MFCD00016592
SMILES OC1=CC(O)=C(C=O)C=C1O
IUPAC Name 2,4,5-trihydroxybenzaldehyde
InChI Key WNCNWLVQSHZVKV-UHFFFAOYSA-N
Molecular Formula C7H6O4
9,537

3-Bromo-4-methoxybenzoic Acid 98.0+%, TCI America™
SDP

CAS: 99-58-1 Molecular Formula: C8H6BrO3 Molecular Weight (g/mol): 230.04 MDL Number: MFCD00020295 InChI Key: BBPZABXVRBFWGD-UHFFFAOYSA-M Synonym: 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole PubChem CID: 66836 IUPAC Name: 3-bromo-4-methoxybenzoate SMILES: COC1=CC=C(C=C1Br)C([O-])=O

PubChem CID 66836
CAS 99-58-1
Molecular Weight (g/mol) 230.04
MDL Number MFCD00020295
SMILES COC1=CC=C(C=C1Br)C([O-])=O
Synonym 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole
IUPAC Name 3-bromo-4-methoxybenzoate
InChI Key BBPZABXVRBFWGD-UHFFFAOYSA-M
Molecular Formula C8H6BrO3
9,538

Diisobutyl Phthalate 98.0+%, TCI America™
SDP

CAS: 84-69-5 Molecular Formula: C16H22O4 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00026480 InChI Key: MGWAVDBGNNKXQV-UHFFFAOYSA-N Synonym: diisobutyl phthalate,palatinol ic,dibp,isobutyl phthalate,hexaplas m/1b,kodaflex dibp,di-iso-butyl phthalate,phthalic acid, diisobutyl ester,phthalic acid diisobutyl ester,di i-butyl phthalate PubChem CID: 6782 ChEBI: CHEBI:79053 IUPAC Name: 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate SMILES: CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C

PubChem CID 6782
CAS 84-69-5
Molecular Weight (g/mol) 278.35
ChEBI CHEBI:79053
MDL Number MFCD00026480
SMILES CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
Synonym diisobutyl phthalate,palatinol ic,dibp,isobutyl phthalate,hexaplas m/1b,kodaflex dibp,di-iso-butyl phthalate,phthalic acid, diisobutyl ester,phthalic acid diisobutyl ester,di i-butyl phthalate
IUPAC Name 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate
InChI Key MGWAVDBGNNKXQV-UHFFFAOYSA-N
Molecular Formula C16H22O4
9,539

Propyzamide 96.0+%, TCI America™
SDP

CAS: 23950-58-5 Molecular Formula: C12H11Cl2NO Molecular Weight (g/mol): 256.126 MDL Number: MFCD00055346 InChI Key: PHNUZKMIPFFYSO-UHFFFAOYSA-N Synonym: propyzamide,pronamide,3,5-dichloro-n-1,1-dimethylpropynyl benzamide,3,5-dichloro-n-2-methylbut-3-yn-2-yl benzamide,kerb,pronamid,clanex,3,5-dichloro-n-1,1-dimethyl-2-propynyl benzamide,kerb 50w,caswell no. 306a PubChem CID: 32154 ChEBI: CHEBI:34935 IUPAC Name: 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide SMILES: CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl

PubChem CID 32154
CAS 23950-58-5
Molecular Weight (g/mol) 256.126
ChEBI CHEBI:34935
MDL Number MFCD00055346
SMILES CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
Synonym propyzamide,pronamide,3,5-dichloro-n-1,1-dimethylpropynyl benzamide,3,5-dichloro-n-2-methylbut-3-yn-2-yl benzamide,kerb,pronamid,clanex,3,5-dichloro-n-1,1-dimethyl-2-propynyl benzamide,kerb 50w,caswell no. 306a
IUPAC Name 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide
InChI Key PHNUZKMIPFFYSO-UHFFFAOYSA-N
Molecular Formula C12H11Cl2NO
9,540

3-Iodo-4-methylaniline 98.0+%, TCI America™
SDP

CAS: 35944-64-0 Molecular Formula: C7H8IN Molecular Weight (g/mol): 233.05 MDL Number: MFCD00047843 InChI Key: RRUDMHNAMZFNEK-UHFFFAOYSA-N Synonym: 3-iodo-p-toluidine,benzenamine, 3-iodo-4-methyl,4-amino-2-iodotoluene,p-toluidine, 3-iodo,3-iodo-4-methyl-aniline,benzenamine, 3-iodo-4-methyl-9ci,3-iodo-4-methyl-phenylamine,pubchem3314,3-iodo-4-methyl aniline,acmc-209ik4 PubChem CID: 118889 IUPAC Name: 3-iodo-4-methylaniline SMILES: CC1=CC=C(N)C=C1I

PubChem CID 118889
CAS 35944-64-0
Molecular Weight (g/mol) 233.05
MDL Number MFCD00047843
SMILES CC1=CC=C(N)C=C1I
Synonym 3-iodo-p-toluidine,benzenamine, 3-iodo-4-methyl,4-amino-2-iodotoluene,p-toluidine, 3-iodo,3-iodo-4-methyl-aniline,benzenamine, 3-iodo-4-methyl-9ci,3-iodo-4-methyl-phenylamine,pubchem3314,3-iodo-4-methyl aniline,acmc-209ik4
IUPAC Name 3-iodo-4-methylaniline
InChI Key RRUDMHNAMZFNEK-UHFFFAOYSA-N
Molecular Formula C7H8IN