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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 (5,383)
Phenols (1,837)
Naphthalenes (342)
Phenol esters (149)
Unsubstituted Phenols (68)
Thiophenols (62)
Fluorenes (40)
Phenanthrenes and derivatives (38)
Indanes (31)
Anthracenes (24)
Pyrenes (22)
Tetralins (14)
Triphenyl compounds (11)
1-hydroxylamino 2-unsubstituted benzenoids (2)
Acenaphthylenes (2)
Naphthacenes (2)
Pentacenes (2)
Ellagic acids and derivatives (1)
Pentacenequinones (1)
Perylenequinones (1)

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1 – 15 of 7,333 results
1

Tamoxifen, 98%

CAS: 10540-29-1 Molecular Formula: C26H29NO Molecular Weight (g/mol): 371.52 MDL Number: MFCD00010454 InChI Key: NKANXQFJJICGDU-QPLCGJKRSA-N Synonym: tamoxifen,trans-tamoxifen,crisafeno,soltamox,tamoxifene,diemon,tamoxifeno,tamoxifenum,citofen,istubol PubChem CID: 2733526 ChEBI: CHEBI:41774 IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine SMILES: CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1

EDGE
PubChem CID 2733526
CAS 10540-29-1
Molecular Weight (g/mol) 371.52
ChEBI CHEBI:41774
MDL Number MFCD00010454
SMILES CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
Synonym tamoxifen,trans-tamoxifen,crisafeno,soltamox,tamoxifene,diemon,tamoxifeno,tamoxifenum,citofen,istubol
IUPAC Name (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
InChI Key NKANXQFJJICGDU-QPLCGJKRSA-N
Molecular Formula C26H29NO
2

6-Nitroveratraldehyde, 96%

CAS: 20357-25-9 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00007134 InChI Key: YWSPWKXREVSQCA-UHFFFAOYSA-N Synonym: 6-nitroveratraldehyde,dmnb,3,4-dimethoxy-6-nitrobenzaldehyde,4,5-dimethoxy-2-nitro-benzaldehyde,dna-pk inhibitor,benzaldehyde, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzaldehyde,dna-dependent protein kinase inhibitor,2-nitro-4,5-bis methyloxy benzaldehyde,pubchem8213 PubChem CID: 88505 IUPAC Name: 4,5-dimethoxy-2-nitrobenzaldehyde SMILES: COC1=CC(C=O)=C(C=C1OC)[N+]([O-])=O

PubChem CID 88505
CAS 20357-25-9
Molecular Weight (g/mol) 211.17
MDL Number MFCD00007134
SMILES COC1=CC(C=O)=C(C=C1OC)[N+]([O-])=O
Synonym 6-nitroveratraldehyde,dmnb,3,4-dimethoxy-6-nitrobenzaldehyde,4,5-dimethoxy-2-nitro-benzaldehyde,dna-pk inhibitor,benzaldehyde, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzaldehyde,dna-dependent protein kinase inhibitor,2-nitro-4,5-bis methyloxy benzaldehyde,pubchem8213
IUPAC Name 4,5-dimethoxy-2-nitrobenzaldehyde
InChI Key YWSPWKXREVSQCA-UHFFFAOYSA-N
Molecular Formula C9H9NO5
3

6-Nitroveratraldehyde 85.0+%, TCI America™

CAS: 20357-25-9 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00007134 InChI Key: YWSPWKXREVSQCA-UHFFFAOYSA-N Synonym: 6-nitroveratraldehyde,dmnb,3,4-dimethoxy-6-nitrobenzaldehyde,4,5-dimethoxy-2-nitro-benzaldehyde,dna-pk inhibitor,benzaldehyde, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzaldehyde,dna-dependent protein kinase inhibitor,2-nitro-4,5-bis methyloxy benzaldehyde,pubchem8213 PubChem CID: 88505 IUPAC Name: 4,5-dimethoxy-2-nitrobenzaldehyde SMILES: COC1=CC(C=O)=C(C=C1OC)[N+]([O-])=O

PubChem CID 88505
CAS 20357-25-9
Molecular Weight (g/mol) 211.17
MDL Number MFCD00007134
SMILES COC1=CC(C=O)=C(C=C1OC)[N+]([O-])=O
Synonym 6-nitroveratraldehyde,dmnb,3,4-dimethoxy-6-nitrobenzaldehyde,4,5-dimethoxy-2-nitro-benzaldehyde,dna-pk inhibitor,benzaldehyde, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzaldehyde,dna-dependent protein kinase inhibitor,2-nitro-4,5-bis methyloxy benzaldehyde,pubchem8213
IUPAC Name 4,5-dimethoxy-2-nitrobenzaldehyde
InChI Key YWSPWKXREVSQCA-UHFFFAOYSA-N
Molecular Formula C9H9NO5
4

Methyl caffeate

CAS: 3843-74-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00210468 InChI Key: OCNYGKNIVPVPPX-HWKANZROSA-N Synonym: methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 PubChem CID: 689075 ChEBI: CHEBI:6856 IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O

PubChem CID 689075
CAS 3843-74-1
Molecular Weight (g/mol) 194.186
ChEBI CHEBI:6856
MDL Number MFCD00210468
SMILES COC(=O)C=CC1=CC(=C(C=C1)O)O
Synonym methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001
IUPAC Name methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key OCNYGKNIVPVPPX-HWKANZROSA-N
Molecular Formula C10H10O4
5

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
6

Phenylethyl 3,4-dihydroxycinnamate, 98+%

CAS: 104594-70-9 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.31 MDL Number: MFCD00866470 InChI Key: SWUARLUWKZWEBQ-VQHVLOKHSA-N Synonym: caffeic acid phenethyl ester,phenethyl caffeate,cape,capeee,phenethyl 3-3,4-dihydroxyphenyl acrylate,phenylethyl caffeate,unii-g960r9s5sk,caffeic acid phenylethyl ester,2-phenylethyl caffeate,caffeic acid 2-phenylethyl ester PubChem CID: 5281787 ChEBI: CHEBI:8062 IUPAC Name: 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: OC1=CC=C(\C=C\C(=O)OCCC2=CC=CC=C2)C=C1O

PubChem CID 5281787
CAS 104594-70-9
Molecular Weight (g/mol) 284.31
ChEBI CHEBI:8062
MDL Number MFCD00866470
SMILES OC1=CC=C(\C=C\C(=O)OCCC2=CC=CC=C2)C=C1O
Synonym caffeic acid phenethyl ester,phenethyl caffeate,cape,capeee,phenethyl 3-3,4-dihydroxyphenyl acrylate,phenylethyl caffeate,unii-g960r9s5sk,caffeic acid phenylethyl ester,2-phenylethyl caffeate,caffeic acid 2-phenylethyl ester
IUPAC Name 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key SWUARLUWKZWEBQ-VQHVLOKHSA-N
Molecular Formula C17H16O4
7

8-Anilinonaphthalene-1-sulfonic acid ammonium salt, 98%

CAS: 28836-03-5 Molecular Formula: C16H16N2O3S Molecular Weight (g/mol): 316.38 MDL Number: MFCD00012560 InChI Key: IPBNQYLKHUNLQE-UHFFFAOYSA-N Synonym: ammonium 8-phenylamino naphthalene-1-sulfonate,8-anilino-1-naphthalenesulfonic acid ammonium salt,unii-gt7mn8dkd7,gt7mn8dkd7,ammonium 8-anilino-1-naphthalenesulfonate,1-naphthalenesulfonic acid, 8-phenylamino-, monoammonium salt,1-naphthalenesulfonic acid, 8-phenylamino-, ammonium salt 1:1,ansa,1-anilinonaphthalene-8-sulfonic acid ammonium salt,82-76-8 parent PubChem CID: 120066 IUPAC Name: azanium;8-anilinonaphthalene-1-sulfonate SMILES: [NH4+].[O-]S(=O)(=O)C1=C2C(NC3=CC=CC=C3)=CC=CC2=CC=C1

PubChem CID 120066
CAS 28836-03-5
Molecular Weight (g/mol) 316.38
MDL Number MFCD00012560
SMILES [NH4+].[O-]S(=O)(=O)C1=C2C(NC3=CC=CC=C3)=CC=CC2=CC=C1
Synonym ammonium 8-phenylamino naphthalene-1-sulfonate,8-anilino-1-naphthalenesulfonic acid ammonium salt,unii-gt7mn8dkd7,gt7mn8dkd7,ammonium 8-anilino-1-naphthalenesulfonate,1-naphthalenesulfonic acid, 8-phenylamino-, monoammonium salt,1-naphthalenesulfonic acid, 8-phenylamino-, ammonium salt 1:1,ansa,1-anilinonaphthalene-8-sulfonic acid ammonium salt,82-76-8 parent
IUPAC Name azanium;8-anilinonaphthalene-1-sulfonate
InChI Key IPBNQYLKHUNLQE-UHFFFAOYSA-N
Molecular Formula C16H16N2O3S
8

Vitamin K1, MP Biomedicals™

CAS: 84-80-0 Molecular Formula: C31H46O2 Molecular Weight (g/mol): 450.707 InChI Key: MBWXNTAXLNYFJB-NKFFZRIASA-N Synonym: vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone PubChem CID: 5284607 ChEBI: CHEBI:18067 IUPAC Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C

PubChem CID 5284607
CAS 84-80-0
Molecular Weight (g/mol) 450.707
ChEBI CHEBI:18067
SMILES CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
Synonym vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone
IUPAC Name 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
InChI Key MBWXNTAXLNYFJB-NKFFZRIASA-N
Molecular Formula C31H46O2
9

5-Sulfosalicylic acid dihydrate, ACS, 99+%

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid;dihydrate SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

PubChem CID 2723734
CAS 5965-83-3
Molecular Weight (g/mol) 250.27
MDL Number MFCD00007508,MFCD00149540
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
IUPAC Name 2-hydroxy-5-sulfobenzoic acid;dihydrate
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
10

Sigma Aldrich Benzyl bromide

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS
Boiling Point 198°C to 199°C (lit.)
Linear Formula C6H5CH2Br
Molecular Weight (g/mol) 171.03
Density 1.438 g/mL (at 25°C (literature))
Percent Purity 98%
CAS 100-39-0
MDL Number MFCD00000172
Refractive Index n20/D 1.575 (literature)
Synonym alpha-Bromotoluene
RTECS Number XS7965000
Recommended Storage Room Temperature
Molecular Formula C7H7Br
EINECS Number 202-847-3
Melting Point -3°C to +1°C (lit.)
11

Sigma Aldrich cis-10-Heptadecenoic acid

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ENCOMPASS
CAS 29743-97-3
12

Sigma Aldrich Styrene

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ENCOMPASS
Refractive Index n20/D 1.546
Synonym Phenylethylene; Vinylbenzene
13

Sigma Aldrich 2,4,6-Tri(P-Tolyl)Pyrylium Tetrafluoroborate Salt

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS
CAS 2055048-42-3
14

Sigma Aldrich P-Toluenesulfonic Acid Monohydrate

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ENCOMPASS
15

Sigma Aldrich Hydroquinone

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ENCOMPASS
Synonym 1,4-Benzenediol; 1,4-Dihydroxybenzene; HQ
RTECS Number MX3500000
Recommended Storage Room Temperature