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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 (167)
Phenols (30)
Naphthalenes (15)
Thiophenols (3)
Anthracenes (2)
Fluorenes (2)
Triphenyl compounds (2)
Unsubstituted Phenols (2)
Tetralins (1)

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1 – 15 of 197 results
1

Caffeic Acid 98.0+%, TCI America™
SDP

CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004392 InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N Synonym: caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid PubChem CID: 689043 ChEBI: CHEBI:16433 IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

PubChem CID 689043
CAS 331-39-5
Molecular Weight (g/mol) 180.159
ChEBI CHEBI:16433
MDL Number MFCD00004392
SMILES C1=CC(=C(C=C1C=CC(=O)O)O)O
Synonym caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid
IUPAC Name (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
InChI Key QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Formula C9H8O4
2

3,4-Dimethylbenzophenone 98.0+%, TCI America™
SDP

CAS: 2571-39-3 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00008525 InChI Key: JENOLWCGNVWTJN-UHFFFAOYSA-N Synonym: 3,4-dimethylbenzophenone,3,4-dimethylphenyl phenyl methanone,methanone, 3,4-dimethylphenyl phenyl,3,4-dimethylphenyl-phenylmethanone,3,4-dimethylphenyl phenyl ketone,acmc-1cbaf,3,4-dimethyl-benzophenone,ksc490c7t,benzophenone, 3,4-dimethyl PubChem CID: 75730 IUPAC Name: (3,4-dimethylphenyl)(phenyl)methanone SMILES: CC1=CC=C(C=C1C)C(=O)C1=CC=CC=C1

PubChem CID 75730
CAS 2571-39-3
Molecular Weight (g/mol) 210.28
MDL Number MFCD00008525
SMILES CC1=CC=C(C=C1C)C(=O)C1=CC=CC=C1
Synonym 3,4-dimethylbenzophenone,3,4-dimethylphenyl phenyl methanone,methanone, 3,4-dimethylphenyl phenyl,3,4-dimethylphenyl-phenylmethanone,3,4-dimethylphenyl phenyl ketone,acmc-1cbaf,3,4-dimethyl-benzophenone,ksc490c7t,benzophenone, 3,4-dimethyl
IUPAC Name (3,4-dimethylphenyl)(phenyl)methanone
InChI Key JENOLWCGNVWTJN-UHFFFAOYSA-N
Molecular Formula C15H14O
3

Decafluorobenzophenone 98.0+%, TCI America™
SDP

CAS: 853-39-4 Molecular Formula: C13F10O Molecular Weight (g/mol): 362.126 MDL Number: MFCD00000295 InChI Key: WWQLXRAKBJVNCC-UHFFFAOYSA-N Synonym: decafluorobenzophenone,benzophenone, decafluoro,perfluorobenzophenone,methanone, bis pentafluorophenyl,bis perfluorophenyl methanone,bis pentafluorophenyl methanone,bis 2,3,4,5,6-pentafluorophenyl methanone,di2,3,4,5,6-pentafluorophenyl ketone,acmc-209q5n PubChem CID: 70068 IUPAC Name: bis(2,3,4,5,6-pentafluorophenyl)methanone SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F

PubChem CID 70068
CAS 853-39-4
Molecular Weight (g/mol) 362.126
MDL Number MFCD00000295
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F
Synonym decafluorobenzophenone,benzophenone, decafluoro,perfluorobenzophenone,methanone, bis pentafluorophenyl,bis perfluorophenyl methanone,bis pentafluorophenyl methanone,bis 2,3,4,5,6-pentafluorophenyl methanone,di2,3,4,5,6-pentafluorophenyl ketone,acmc-209q5n
IUPAC Name bis(2,3,4,5,6-pentafluorophenyl)methanone
InChI Key WWQLXRAKBJVNCC-UHFFFAOYSA-N
Molecular Formula C13F10O
4

m-Cresol 98.0+%, TCI America™
SDP

CAS: 108-39-4 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00002302 InChI Key: RLSSMJSEOOYNOY-UHFFFAOYSA-N Synonym: m-cresol,metacresol,meta-cresol,phenol, 3-methyl,3-hydroxytoluene,m-methylphenol,3-cresol,m-kresol,m-oxytoluene,m-toluol PubChem CID: 342 ChEBI: CHEBI:17231 IUPAC Name: 3-methylphenol SMILES: CC1=CC(=CC=C1)O

PubChem CID 342
CAS 108-39-4
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17231
MDL Number MFCD00002302
SMILES CC1=CC(=CC=C1)O
Synonym m-cresol,metacresol,meta-cresol,phenol, 3-methyl,3-hydroxytoluene,m-methylphenol,3-cresol,m-kresol,m-oxytoluene,m-toluol
IUPAC Name 3-methylphenol
InChI Key RLSSMJSEOOYNOY-UHFFFAOYSA-N
Molecular Formula C7H8O
5

3,5-Difluoroaniline 98.0+%, TCI America™
SDP

CAS: 372-39-4 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007763 InChI Key: KQOIBXZRCYFZSO-UHFFFAOYSA-N Synonym: benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline PubChem CID: 96595 IUPAC Name: 3,5-difluoroaniline SMILES: C1=C(C=C(C=C1F)F)N

PubChem CID 96595
CAS 372-39-4
Molecular Weight (g/mol) 129.11
MDL Number MFCD00007763
SMILES C1=C(C=C(C=C1F)F)N
Synonym benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline
IUPAC Name 3,5-difluoroaniline
InChI Key KQOIBXZRCYFZSO-UHFFFAOYSA-N
Molecular Formula C6H5F2N
6

4-Hydroxyphenylpyruvic Acid 95.0+%, TCI America™
SDP

CAS: 156-39-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00002591 InChI Key: KKADPXVIOXHVKN-UHFFFAOYSA-N Synonym: 4-hydroxyphenylpyruvic acid,testacid,3-4-hydroxyphenyl-2-oxopropanoic acid,p-hydroxyphenylpyruvic acid,testacide,4-hydroxyphenylpyruvate,3-4-hydroxyphenyl pyruvic acid,p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl-2-oxopropanoic acid PubChem CID: 979 ChEBI: CHEBI:15999 IUPAC Name: 3-(4-hydroxyphenyl)-2-oxopropanoic acid SMILES: C1=CC(=CC=C1CC(=O)C(=O)O)O

PubChem CID 979
CAS 156-39-8
Molecular Weight (g/mol) 180.159
ChEBI CHEBI:15999
MDL Number MFCD00002591
SMILES C1=CC(=CC=C1CC(=O)C(=O)O)O
Synonym 4-hydroxyphenylpyruvic acid,testacid,3-4-hydroxyphenyl-2-oxopropanoic acid,p-hydroxyphenylpyruvic acid,testacide,4-hydroxyphenylpyruvate,3-4-hydroxyphenyl pyruvic acid,p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl pyruvic acid,3-p-hydroxyphenyl-2-oxopropanoic acid
IUPAC Name 3-(4-hydroxyphenyl)-2-oxopropanoic acid
InChI Key KKADPXVIOXHVKN-UHFFFAOYSA-N
Molecular Formula C9H8O4
7

5-Hydroxy-1,4-naphthoquinone 96.0+%, TCI America™
SDP

CAS: 481-39-0 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00001684 InChI Key: KQPYUDDGWXQXHS-UHFFFAOYSA-N Synonym: juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon PubChem CID: 3806 ChEBI: CHEBI:15794 IUPAC Name: 5-hydroxy-1,4-dihydronaphthalene-1,4-dione SMILES: OC1=CC=CC2=C1C(=O)C=CC2=O

PubChem CID 3806
CAS 481-39-0
Molecular Weight (g/mol) 174.16
ChEBI CHEBI:15794
MDL Number MFCD00001684
SMILES OC1=CC=CC2=C1C(=O)C=CC2=O
Synonym juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon
IUPAC Name 5-hydroxy-1,4-dihydronaphthalene-1,4-dione
InChI Key KQPYUDDGWXQXHS-UHFFFAOYSA-N
Molecular Formula C10H6O3
8

4-Iodobenzonitrile 98.0+%, TCI America™
SDP

CAS: 3058-39-7 Molecular Formula: C7H4IN Molecular Weight (g/mol): 229.02 MDL Number: MFCD00051310 InChI Key: XOKDXPVXJWTSRM-UHFFFAOYSA-N Synonym: p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile PubChem CID: 76467 IUPAC Name: 4-iodobenzonitrile SMILES: IC1=CC=C(C=C1)C#N

PubChem CID 76467
CAS 3058-39-7
Molecular Weight (g/mol) 229.02
MDL Number MFCD00051310
SMILES IC1=CC=C(C=C1)C#N
Synonym p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile
IUPAC Name 4-iodobenzonitrile
InChI Key XOKDXPVXJWTSRM-UHFFFAOYSA-N
Molecular Formula C7H4IN
9

4-(Hexyloxy)benzoic Acid 98.0+%, TCI America™
SDP

CAS: 1142-39-8 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.284 MDL Number: MFCD00013991 InChI Key: HBQUXMZZODHFMJ-UHFFFAOYSA-N PubChem CID: 70834 IUPAC Name: 4-hexoxybenzoic acid SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)O

PubChem CID 70834
CAS 1142-39-8
Molecular Weight (g/mol) 222.284
MDL Number MFCD00013991
SMILES CCCCCCOC1=CC=C(C=C1)C(=O)O
IUPAC Name 4-hexoxybenzoic acid
InChI Key HBQUXMZZODHFMJ-UHFFFAOYSA-N
Molecular Formula C13H18O3
10

5-Bromo-2-iodotoluene 98.0+%, TCI America™
SDP

CAS: 116632-39-4 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.93 MDL Number: MFCD00060664 InChI Key: GHTUADBHTFHMNI-UHFFFAOYSA-N Synonym: 5-bromo-2-iodotoluene,1-bromo-4-iodo-5-methylbenzene,benzene, 4-bromo-1-iodo-2-methyl,bromoiodotoluene,pubchem3793,2-iodo-5-bromo-toluene,5-bromo-2-iodo toluene,5-bromo-2-iodotoluene,,4-bromo-2-methyliodobenzene,4-bromo-2-methyl-iodobenzene PubChem CID: 2724601 IUPAC Name: 4-bromo-1-iodo-2-methylbenzene SMILES: CC1=CC(Br)=CC=C1I

PubChem CID 2724601
CAS 116632-39-4
Molecular Weight (g/mol) 296.93
MDL Number MFCD00060664
SMILES CC1=CC(Br)=CC=C1I
Synonym 5-bromo-2-iodotoluene,1-bromo-4-iodo-5-methylbenzene,benzene, 4-bromo-1-iodo-2-methyl,bromoiodotoluene,pubchem3793,2-iodo-5-bromo-toluene,5-bromo-2-iodo toluene,5-bromo-2-iodotoluene,,4-bromo-2-methyliodobenzene,4-bromo-2-methyl-iodobenzene
IUPAC Name 4-bromo-1-iodo-2-methylbenzene
InChI Key GHTUADBHTFHMNI-UHFFFAOYSA-N
Molecular Formula C7H6BrI
11

4-Bromo-2-tert-butylphenol 95.0+%, TCI America™
SDP

CAS: 10323-39-4 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.12 MDL Number: MFCD00192645 InChI Key: IKMJSWBFODAWTC-UHFFFAOYSA-N PubChem CID: 97068 IUPAC Name: 4-bromo-2-tert-butylphenol SMILES: CC(C)(C)C1=CC(Br)=CC=C1O

PubChem CID 97068
CAS 10323-39-4
Molecular Weight (g/mol) 229.12
MDL Number MFCD00192645
SMILES CC(C)(C)C1=CC(Br)=CC=C1O
IUPAC Name 4-bromo-2-tert-butylphenol
InChI Key IKMJSWBFODAWTC-UHFFFAOYSA-N
Molecular Formula C10H13BrO
12

4-Bromobenz[a]anthracene 97.0+%, TCI America™
SDP

CAS: 61921-39-9 Molecular Formula: C18H11Br Molecular Weight (g/mol): 307.19 MDL Number: MFCD25371993 InChI Key: ILVKEMDEUCXCAB-UHFFFAOYSA-N Synonym: 4-Bromotetraphene PubChem CID: 182324 IUPAC Name: 4-bromobenzo[a]anthracene SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CC=C4Br

PubChem CID 182324
CAS 61921-39-9
Molecular Weight (g/mol) 307.19
MDL Number MFCD25371993
SMILES C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CC=C4Br
Synonym 4-Bromotetraphene
IUPAC Name 4-bromobenzo[a]anthracene
InChI Key ILVKEMDEUCXCAB-UHFFFAOYSA-N
Molecular Formula C18H11Br
13

(4-Chlorobenzyl)triphenylphosphonium Chloride 98.0+%, TCI America™
SDP

CAS: 1530-39-8 Molecular Formula: C25H21Cl2P Molecular Weight (g/mol): 423.32 MDL Number: MFCD00041533 InChI Key: RAHOAHBOOHXRDY-UHFFFAOYSA-M Synonym: 4-chlorobenzyl triphenylphosphonium chloride,4-chlorobenzyl triphenylphosphoniumchloride,4-chlorophenyl methyl triphenylphosphanium chloride,acmc-1bpq8,4-chlorobenzyltriphenylphosphonium chloride,4-chlorobenzyltriphenyl-phosphonium chloride,4-chlorophenyl methyl-triphenylphosphanium chloride,4-chlorophenyl methyl-triphenylphosphonium chloride,4-chlorophenyl methyl triphenylphosphine, chloride,4-chlorobenzyl triphenyl phosphonium chloride PubChem CID: 2733546 IUPAC Name: [(4-chlorophenyl)methyl]triphenylphosphanium chloride SMILES: [Cl-].ClC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1

PubChem CID 2733546
CAS 1530-39-8
Molecular Weight (g/mol) 423.32
MDL Number MFCD00041533
SMILES [Cl-].ClC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
Synonym 4-chlorobenzyl triphenylphosphonium chloride,4-chlorobenzyl triphenylphosphoniumchloride,4-chlorophenyl methyl triphenylphosphanium chloride,acmc-1bpq8,4-chlorobenzyltriphenylphosphonium chloride,4-chlorobenzyltriphenyl-phosphonium chloride,4-chlorophenyl methyl-triphenylphosphanium chloride,4-chlorophenyl methyl-triphenylphosphonium chloride,4-chlorophenyl methyl triphenylphosphine, chloride,4-chlorobenzyl triphenyl phosphonium chloride
IUPAC Name [(4-chlorophenyl)methyl]triphenylphosphanium chloride
InChI Key RAHOAHBOOHXRDY-UHFFFAOYSA-M
Molecular Formula C25H21Cl2P
14

1,4-Benzenedithiol 98.0+%, TCI America™
SDP

CAS: 624-39-5 Molecular Formula: C6H6S2 Molecular Weight (g/mol): 142.23 MDL Number: MFCD00142541 InChI Key: WYLQRHZSKIDFEP-UHFFFAOYSA-N Synonym: 1,4-benzenedithiol,dithiohydroquinone,1,4-dimercaptobenzene,4-mercaptothiophenol,1,4-benzene dithiol,pubchem6866,acmc-1b45q,benzene-1,4-dithiol gc PubChem CID: 4691729 IUPAC Name: benzene-1,4-dithiol SMILES: SC1=CC=C(S)C=C1

PubChem CID 4691729
CAS 624-39-5
Molecular Weight (g/mol) 142.23
MDL Number MFCD00142541
SMILES SC1=CC=C(S)C=C1
Synonym 1,4-benzenedithiol,dithiohydroquinone,1,4-dimercaptobenzene,4-mercaptothiophenol,1,4-benzene dithiol,pubchem6866,acmc-1b45q,benzene-1,4-dithiol gc
IUPAC Name benzene-1,4-dithiol
InChI Key WYLQRHZSKIDFEP-UHFFFAOYSA-N
Molecular Formula C6H6S2
15

1-Bromo-2-chloro-4-nitrobenzene 97.0+%, TCI America™
SDP

CAS: 29682-39-1 Molecular Formula: C6H3BrClNO2 Molecular Weight (g/mol): 236.449 MDL Number: MFCD00051514 InChI Key: YKSXEJZFIQAUHJ-UHFFFAOYSA-N Synonym: 4-bromo-3-chloronitrobenzene,benzene,1-bromo-2-chloro-4-nitro,pubchem22601,acmc-209vlc,2-chloro-4-nitro-bromobenzene,4-bromo-3-chloro-nitrobenzene,bromo-2-chloro-4-nitrobenzene,1-bromanyl-2-chloranyl-4-nitro-benzene PubChem CID: 34667 IUPAC Name: 1-bromo-2-chloro-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br

PubChem CID 34667
CAS 29682-39-1
Molecular Weight (g/mol) 236.449
MDL Number MFCD00051514
SMILES C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br
Synonym 4-bromo-3-chloronitrobenzene,benzene,1-bromo-2-chloro-4-nitro,pubchem22601,acmc-209vlc,2-chloro-4-nitro-bromobenzene,4-bromo-3-chloro-nitrobenzene,bromo-2-chloro-4-nitrobenzene,1-bromanyl-2-chloranyl-4-nitro-benzene
IUPAC Name 1-bromo-2-chloro-4-nitrobenzene
InChI Key YKSXEJZFIQAUHJ-UHFFFAOYSA-N
Molecular Formula C6H3BrClNO2