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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 (2,905)
Fluorenes (130)
Phenols (105)
Naphthalenes (29)
Thiophenols (10)
Unsubstituted Phenols (8)
Phenol esters (6)
Pyrenes (5)
Tetralins (4)
Anthracenes (3)
Phenanthrenes and derivatives (3)
Indanes (2)
Triphenyl compounds (2)

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1 – 15 of 3,134 results
1

1-Bromopyrene, 95%

CAS: 1714-29-0 Molecular Formula: C16H9Br Molecular Weight (g/mol): 281.152 MDL Number: MFCD00015767 InChI Key: HYGLETVERPVXOS-UHFFFAOYSA-N Synonym: 1-bromo-pyrene,pyrene, bromo,pyrene, 1-bromo,bromopyrene,1-brompyren,1-brpy,3-bromopyrene,1-bromanylpyrene,pubchem14567,1-bromopyrene PubChem CID: 159627 IUPAC Name: 1-bromopyrene SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)Br

PubChem CID 159627
CAS 1714-29-0
Molecular Weight (g/mol) 281.152
MDL Number MFCD00015767
SMILES C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)Br
Synonym 1-bromo-pyrene,pyrene, bromo,pyrene, 1-bromo,bromopyrene,1-brompyren,1-brpy,3-bromopyrene,1-bromanylpyrene,pubchem14567,1-bromopyrene
IUPAC Name 1-bromopyrene
InChI Key HYGLETVERPVXOS-UHFFFAOYSA-N
Molecular Formula C16H9Br
2

1'-Acetonaphthone, 95%

CAS: 941-98-0 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00004013 InChI Key: QQLIGMASAVJVON-UHFFFAOYSA-N Synonym: 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone PubChem CID: 13663 IUPAC Name: 1-naphthalen-1-ylethanone SMILES: CC(=O)C1=CC=CC2=CC=CC=C21

PubChem CID 13663
CAS 941-98-0
Molecular Weight (g/mol) 170.21
MDL Number MFCD00004013
SMILES CC(=O)C1=CC=CC2=CC=CC=C21
Synonym 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone
IUPAC Name 1-naphthalen-1-ylethanone
InChI Key QQLIGMASAVJVON-UHFFFAOYSA-N
Molecular Formula C12H10O
3

2-Bromo-1-(4-phenoxyphenyl)ethanone 95+%, Thermo Scientific™

CAS: 28179-33-1 Molecular Formula: C14H11BrO2 Molecular Weight (g/mol): 291.14 MDL Number: MFCD01419855 InChI Key: RAXTYMXDSNWNJS-UHFFFAOYSA-N Synonym: 2-bromo-1-4-phenoxyphenyl ethanone,2-bromo-1-4-phenoxyphenyl ethan-1-one,ethanone,2-bromo-1-4-phenoxyphenyl,4-phenoxyphenacyl bromide,2-bromo-4'-phenoxyacetophenone,4'-phenoxy-2-bromoacetophenone,alpha-bromo-4'-phenoxyacetophenone,ethanone, 2-bromo-1-4-phenoxyphenyl PubChem CID: 14797675 IUPAC Name: 2-bromo-1-(4-phenoxyphenyl)ethanone SMILES: BrCC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1

PubChem CID 14797675
CAS 28179-33-1
Molecular Weight (g/mol) 291.14
MDL Number MFCD01419855
SMILES BrCC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
Synonym 2-bromo-1-4-phenoxyphenyl ethanone,2-bromo-1-4-phenoxyphenyl ethan-1-one,ethanone,2-bromo-1-4-phenoxyphenyl,4-phenoxyphenacyl bromide,2-bromo-4'-phenoxyacetophenone,4'-phenoxy-2-bromoacetophenone,alpha-bromo-4'-phenoxyacetophenone,ethanone, 2-bromo-1-4-phenoxyphenyl
IUPAC Name 2-bromo-1-(4-phenoxyphenyl)ethanone
InChI Key RAXTYMXDSNWNJS-UHFFFAOYSA-N
Molecular Formula C14H11BrO2
4

1-(p-Toluenesulfonyl)indole, 95%

CAS: 31271-90-6 Molecular Formula: C15H13NO2S Molecular Weight (g/mol): 271.33 MDL Number: MFCD01165032 InChI Key: JNRRPYFLDADLJW-UHFFFAOYSA-N Synonym: 1-tosyl-1h-indole,n-tosylindole,1-p-toluenesulfonyl indole,1-4-methylbenzenesulfonyl indole,n-p-toluenesulfonyl indole,1-4-methylphenyl sulfonyl-1h-indole,1-tosylindole,1-p-tolylsulfonyl indole,1-p-toluenesulphonyl indole,4-methylphenyl sulfonyl indole PubChem CID: 10956616 SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1C=CC2=CC=CC=C12

PubChem CID 10956616
CAS 31271-90-6
Molecular Weight (g/mol) 271.33
MDL Number MFCD01165032
SMILES CC1=CC=C(C=C1)S(=O)(=O)N1C=CC2=CC=CC=C12
Synonym 1-tosyl-1h-indole,n-tosylindole,1-p-toluenesulfonyl indole,1-4-methylbenzenesulfonyl indole,n-p-toluenesulfonyl indole,1-4-methylphenyl sulfonyl-1h-indole,1-tosylindole,1-p-tolylsulfonyl indole,1-p-toluenesulphonyl indole,4-methylphenyl sulfonyl indole
InChI Key JNRRPYFLDADLJW-UHFFFAOYSA-N
Molecular Formula C15H13NO2S
5

2-Bromo-1-naphthol, 95%

CAS: 771-15-3 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.07 MDL Number: MFCD00274158 InChI Key: LOHOSHDZQVKDPS-UHFFFAOYSA-N Synonym: 2-bromo-1-naphthol,2-bromo-naphthalen-1-ol,2-bromo-1-naphthalenol,1-naphthalenol, 2-bromo,naphthalenol, bromo,bromonaphthol,bromnaphthol,pubchem22909,2-bromanylnaphthalen-1-ol,acmc-209vk0 PubChem CID: 150849 IUPAC Name: 2-bromonaphthalen-1-ol SMILES: OC1=C2C=CC=CC2=CC=C1Br

PubChem CID 150849
CAS 771-15-3
Molecular Weight (g/mol) 223.07
MDL Number MFCD00274158
SMILES OC1=C2C=CC=CC2=CC=C1Br
Synonym 2-bromo-1-naphthol,2-bromo-naphthalen-1-ol,2-bromo-1-naphthalenol,1-naphthalenol, 2-bromo,naphthalenol, bromo,bromonaphthol,bromnaphthol,pubchem22909,2-bromanylnaphthalen-1-ol,acmc-209vk0
IUPAC Name 2-bromonaphthalen-1-ol
InChI Key LOHOSHDZQVKDPS-UHFFFAOYSA-N
Molecular Formula C10H7BrO
6

Pyrene-1-boronic acid, 95%

CAS: 164461-18-1 Molecular Formula: C16H11BO2 Molecular Weight (g/mol): 246.07 MDL Number: MFCD04974062 InChI Key: MWEKPLLMFXIZOC-UHFFFAOYSA-N Synonym: 1-pyrenylboronic acid,1-pyreneboronic acid,pyrene-1-boronic acid,1-boronopyrene,1-pyrenyl boronic acid,boronic acid, 1-pyrenyl,1-pyrene boronic acid,pyreneboronic acid,pubchem16490,pyren-1-yl boronic acid PubChem CID: 5084102 IUPAC Name: pyren-1-ylboronic acid SMILES: OB(O)C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34

PubChem CID 5084102
CAS 164461-18-1
Molecular Weight (g/mol) 246.07
MDL Number MFCD04974062
SMILES OB(O)C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
Synonym 1-pyrenylboronic acid,1-pyreneboronic acid,pyrene-1-boronic acid,1-boronopyrene,1-pyrenyl boronic acid,boronic acid, 1-pyrenyl,1-pyrene boronic acid,pyreneboronic acid,pubchem16490,pyren-1-yl boronic acid
IUPAC Name pyren-1-ylboronic acid
InChI Key MWEKPLLMFXIZOC-UHFFFAOYSA-N
Molecular Formula C16H11BO2
7

1-Methyl-1,2,3,4-tetrahydroisoquinoline, 95%

CAS: 4965-09-7 MDL Number: MFCD00798989 IUPAC Name: 1-methyl-1,2,3,4-tetrahydroisoquinoline

CAS 4965-09-7
MDL Number MFCD00798989
IUPAC Name 1-methyl-1,2,3,4-tetrahydroisoquinoline
8

4-(1-Piperazinyl)phenol, 95%

CAS: 56621-48-8 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.24 MDL Number: MFCD00066156 InChI Key: GPEOAEVZTOQXLG-UHFFFAOYSA-N Synonym: 1-4-hydroxyphenyl piperazine,4-piperazin-1-yl phenol,4-1-piperazinyl phenol,n-4-hydroxyphenyl piperazine,p-1-piperazinyl phenol,4-piperazinophenol,phenol, 4-1-piperazinyl,1-4-hydroxyphenyl-piperazine,4-piperazinylphenol,4-piperazinyl phenol PubChem CID: 92467 SMILES: OC1=CC=C(C=C1)N1CCNCC1

PubChem CID 92467
CAS 56621-48-8
Molecular Weight (g/mol) 178.24
MDL Number MFCD00066156
SMILES OC1=CC=C(C=C1)N1CCNCC1
Synonym 1-4-hydroxyphenyl piperazine,4-piperazin-1-yl phenol,4-1-piperazinyl phenol,n-4-hydroxyphenyl piperazine,p-1-piperazinyl phenol,4-piperazinophenol,phenol, 4-1-piperazinyl,1-4-hydroxyphenyl-piperazine,4-piperazinylphenol,4-piperazinyl phenol
InChI Key GPEOAEVZTOQXLG-UHFFFAOYSA-N
Molecular Formula C10H14N2O
9

4-Carboxynaphthalene-1-boronic acid, 95%

CAS: 332398-57-9 Molecular Formula: C11H9BO4 Molecular Weight (g/mol): 216.00 MDL Number: MFCD06203538 InChI Key: SRYYKYNBMCQCAB-UHFFFAOYSA-N Synonym: 4-carboxynaphthalene-1-boronic acid,4-borono-1-naphthoic acid,4-dihydroxyboranyl naphthalene-1-carboxylic acid,acmc-209hzn,4-carboxy-1-naphthylboronic acid,4-carboxynaphthalen-1-ylboronic acid PubChem CID: 22711863 IUPAC Name: 4-borononaphthalene-1-carboxylic acid SMILES: OB(O)C1=C2C=CC=CC2=C(C=C1)C(O)=O

PubChem CID 22711863
CAS 332398-57-9
Molecular Weight (g/mol) 216.00
MDL Number MFCD06203538
SMILES OB(O)C1=C2C=CC=CC2=C(C=C1)C(O)=O
Synonym 4-carboxynaphthalene-1-boronic acid,4-borono-1-naphthoic acid,4-dihydroxyboranyl naphthalene-1-carboxylic acid,acmc-209hzn,4-carboxy-1-naphthylboronic acid,4-carboxynaphthalen-1-ylboronic acid
IUPAC Name 4-borononaphthalene-1-carboxylic acid
InChI Key SRYYKYNBMCQCAB-UHFFFAOYSA-N
Molecular Formula C11H9BO4
10

3-Iodo-1-(phenylsulfonyl)indole, 95%

CAS: 80360-14-1 Molecular Formula: C14H10INO2S Molecular Weight (g/mol): 383.20 MDL Number: MFCD09037474 InChI Key: GKYWOZYEMLEJFK-UHFFFAOYSA-N Synonym: 3-iodo-1-phenylsulfonyl-1h-indole,3-iodo-1-phenylsulfonyl indole,1-benzenesulfonyl-3-iodo-1h-indole,1-benzenesulfonyl-3-iodoindole,1-benzenesulfonyl-3-iodo-indole,n-benzenesulfonyl-3-iodoindole,1-phenylsulfonyl-3-iodo-1h-indole,1h-indole,3-iodo-1-phenylsulfonyl PubChem CID: 10927077 IUPAC Name: 1-(benzenesulfonyl)-3-iodoindole SMILES: IC1=CN(C2=CC=CC=C12)S(=O)(=O)C1=CC=CC=C1

PubChem CID 10927077
CAS 80360-14-1
Molecular Weight (g/mol) 383.20
MDL Number MFCD09037474
SMILES IC1=CN(C2=CC=CC=C12)S(=O)(=O)C1=CC=CC=C1
Synonym 3-iodo-1-phenylsulfonyl-1h-indole,3-iodo-1-phenylsulfonyl indole,1-benzenesulfonyl-3-iodo-1h-indole,1-benzenesulfonyl-3-iodoindole,1-benzenesulfonyl-3-iodo-indole,n-benzenesulfonyl-3-iodoindole,1-phenylsulfonyl-3-iodo-1h-indole,1h-indole,3-iodo-1-phenylsulfonyl
IUPAC Name 1-(benzenesulfonyl)-3-iodoindole
InChI Key GKYWOZYEMLEJFK-UHFFFAOYSA-N
Molecular Formula C14H10INO2S
11

1-(4-Chlorobenzhydryl)piperazine, 90-95%

CAS: 303-26-4 Molecular Formula: C17H19ClN2 Molecular Weight (g/mol): 286.79 InChI Key: UZKBSZSTDQSMDR-UHFFFAOYSA-N Synonym: 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine PubChem CID: 9340 IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

PubChem CID 9340
CAS 303-26-4
Molecular Weight (g/mol) 286.79
SMILES C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Synonym 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine
IUPAC Name 1-[(4-chlorophenyl)-phenylmethyl]piperazine
InChI Key UZKBSZSTDQSMDR-UHFFFAOYSA-N
Molecular Formula C17H19ClN2
12

8-Anilinonaphthalene-1-sulfonic acid, 95%

CAS: 82-76-8 Molecular Formula: C16H13NO3S Molecular Weight (g/mol): 299.344 MDL Number: MFCD00003998 InChI Key: FWEOQOXTVHGIFQ-UHFFFAOYSA-N Synonym: 8-anilino-1-naphthalenesulfonic acid,phenylperi acid,n-phenyl peri acid,8-phenylamino naphthalene-1-sulfonic acid,1-anilino-8-naphthalenesulfonate,1-anilino-8-naphthalenesulfonic acid,peri acid, phenyl,1-naphthalenesulfonic acid, 8-phenylamino,1-anilinonaphthalene-8-sulfonic acid,8-anilino-1-naphthalene sulfonic acid PubChem CID: 1369 ChEBI: CHEBI:39708 IUPAC Name: 8-anilinonaphthalene-1-sulfonic acid SMILES: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O

PubChem CID 1369
CAS 82-76-8
Molecular Weight (g/mol) 299.344
ChEBI CHEBI:39708
MDL Number MFCD00003998
SMILES C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
Synonym 8-anilino-1-naphthalenesulfonic acid,phenylperi acid,n-phenyl peri acid,8-phenylamino naphthalene-1-sulfonic acid,1-anilino-8-naphthalenesulfonate,1-anilino-8-naphthalenesulfonic acid,peri acid, phenyl,1-naphthalenesulfonic acid, 8-phenylamino,1-anilinonaphthalene-8-sulfonic acid,8-anilino-1-naphthalene sulfonic acid
IUPAC Name 8-anilinonaphthalene-1-sulfonic acid
InChI Key FWEOQOXTVHGIFQ-UHFFFAOYSA-N
Molecular Formula C16H13NO3S
13

(S)-(-)-1-Phenylpropyl isocyanate, 95%

CAS: 164033-12-9 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD05664090 InChI Key: XGPXXSJFZSZULR-JTQLQIEISA-N Synonym: s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl PubChem CID: 7018275 IUPAC Name: [(1S)-1-isocyanatopropyl]benzene SMILES: CCC(C1=CC=CC=C1)N=C=O

PubChem CID 7018275
CAS 164033-12-9
Molecular Weight (g/mol) 161.204
MDL Number MFCD05664090
SMILES CCC(C1=CC=CC=C1)N=C=O
Synonym s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl
IUPAC Name [(1S)-1-isocyanatopropyl]benzene
InChI Key XGPXXSJFZSZULR-JTQLQIEISA-N
Molecular Formula C10H11NO
14

4-Bromo-1-trityl-1H-pyrazole, 95%

CAS: 95162-14-4 Molecular Formula: C22H17BrN2 Molecular Weight (g/mol): 389.30 MDL Number: MFCD09907863 InChI Key: CPENTLJGGGSVAJ-UHFFFAOYSA-N Synonym: 4-bromo-1-trityl-1h-pyrazole,1h-pyrazole, 4-bromo-1-triphenylmethyl,1h-pyrazole,4-bromo-1-triphenylmethyl,4-bromo-1-triphenylmethyl-1h-pyrazole,4-bromo-1-triphenylmethyl pyrazole,n-trityl-4-bromopyrazole,4-bromo-1-n-tritylpyrazole,1-trityl-4-bromo-1h-pyrazole,4-bromo-1-trityl-1-h-pyrazole PubChem CID: 10834188 IUPAC Name: 4-bromo-1-(triphenylmethyl)-1H-pyrazole SMILES: BrC1=CN(N=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 10834188
CAS 95162-14-4
Molecular Weight (g/mol) 389.30
MDL Number MFCD09907863
SMILES BrC1=CN(N=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 4-bromo-1-trityl-1h-pyrazole,1h-pyrazole, 4-bromo-1-triphenylmethyl,1h-pyrazole,4-bromo-1-triphenylmethyl,4-bromo-1-triphenylmethyl-1h-pyrazole,4-bromo-1-triphenylmethyl pyrazole,n-trityl-4-bromopyrazole,4-bromo-1-n-tritylpyrazole,1-trityl-4-bromo-1h-pyrazole,4-bromo-1-trityl-1-h-pyrazole
IUPAC Name 4-bromo-1-(triphenylmethyl)-1H-pyrazole
InChI Key CPENTLJGGGSVAJ-UHFFFAOYSA-N
Molecular Formula C22H17BrN2
15

1-Bromo-4-(1,1-difluoroethyl)benzene, 95%

CAS: 1000994-95-5 Molecular Formula: C8H7BrF2 Molecular Weight (g/mol): 221.05 MDL Number: MFCD11110333 InChI Key: QXIBKCFAFRHORF-UHFFFAOYSA-N Synonym: 1-bromo-4-1,1-difluoroethyl benzene,1-bromo-4-1,1-difluoro-ethyl-benzene,benzene, 1-bromo-4-1,1-difluoroethyl,4-1,1-difluoroethyl bromobenzene,bromo-4-1,1-difluoroethyl benzene,1-bromo-4-1,1-difluoroethyl-benzene,1-4-bromophenyl-1,1-difluoroethane PubChem CID: 45158847 IUPAC Name: 1-bromo-4-(1,1-difluoroethyl)benzene SMILES: CC(C1=CC=C(C=C1)Br)(F)F

PubChem CID 45158847
CAS 1000994-95-5
Molecular Weight (g/mol) 221.05
MDL Number MFCD11110333
SMILES CC(C1=CC=C(C=C1)Br)(F)F
Synonym 1-bromo-4-1,1-difluoroethyl benzene,1-bromo-4-1,1-difluoro-ethyl-benzene,benzene, 1-bromo-4-1,1-difluoroethyl,4-1,1-difluoroethyl bromobenzene,bromo-4-1,1-difluoroethyl benzene,1-bromo-4-1,1-difluoroethyl-benzene,1-4-bromophenyl-1,1-difluoroethane
IUPAC Name 1-bromo-4-(1,1-difluoroethyl)benzene
InChI Key QXIBKCFAFRHORF-UHFFFAOYSA-N
Molecular Formula C8H7BrF2