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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 (218)
Phenols (31)
Naphthalenes (11)
Tetralins (3)
Unsubstituted Phenols (2)
Pentacenes (1)
Phenol esters (1)

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1 – 15 of 215 results
1

6-Methoxy-8-nitroquinoline, 99%, Thermo Scientific™

CAS: 85-81-4 Molecular Formula: C10H8N2O3 Molecular Weight (g/mol): 204.18 MDL Number: MFCD00006802 InChI Key: MIMUSZHMZBJBPO-UHFFFAOYSA-N Synonym: quinoline, 6-methoxy-8-nitro,6-methoxy-8-nitro-quinoline,8-nitro-6-methoxyquinoline,methyl 8-nitro-6-quinolyl ether,unii-ats412o1xo,ats412o1xo,pubchem9433,acmc-209q7l,5-21-03-00248 beilstein handbook reference,ksc655o7n PubChem CID: 6822 IUPAC Name: 6-methoxy-8-nitroquinoline SMILES: COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-]

PubChem CID 6822
CAS 85-81-4
Molecular Weight (g/mol) 204.18
MDL Number MFCD00006802
SMILES COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-]
Synonym quinoline, 6-methoxy-8-nitro,6-methoxy-8-nitro-quinoline,8-nitro-6-methoxyquinoline,methyl 8-nitro-6-quinolyl ether,unii-ats412o1xo,ats412o1xo,pubchem9433,acmc-209q7l,5-21-03-00248 beilstein handbook reference,ksc655o7n
IUPAC Name 6-methoxy-8-nitroquinoline
InChI Key MIMUSZHMZBJBPO-UHFFFAOYSA-N
Molecular Formula C10H8N2O3
2

3-Fluoro-5-(pentafluorothio)aniline, 97%

CAS: 1240256-99-8 Molecular Formula: C6H5F6NS Molecular Weight (g/mol): 237.163 MDL Number: MFCD16652430 InChI Key: RFXWDLYDFAZNLO-UHFFFAOYSA-N Synonym: 3-fluoro-5-pentafluorosulfur aniline,3-fluoro-5-pentafluoro-??-sulfanyl aniline,3-fluoro-5-pentafluorothio aniline PubChem CID: 66523473 IUPAC Name: 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)aniline SMILES: C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)N

PubChem CID 66523473
CAS 1240256-99-8
Molecular Weight (g/mol) 237.163
MDL Number MFCD16652430
SMILES C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)N
Synonym 3-fluoro-5-pentafluorosulfur aniline,3-fluoro-5-pentafluoro-??-sulfanyl aniline,3-fluoro-5-pentafluorothio aniline
IUPAC Name 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)aniline
InChI Key RFXWDLYDFAZNLO-UHFFFAOYSA-N
Molecular Formula C6H5F6NS
3

1-Naphthol, 99+%

CAS: 90-15-3 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD00003930 InChI Key: KJCVRFUGPWSIIH-UHFFFAOYSA-N Synonym: 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern PubChem CID: 7005 ChEBI: CHEBI:10319 IUPAC Name: naphthalen-1-ol SMILES: C1=CC=C2C(=C1)C=CC=C2O

PubChem CID 7005
CAS 90-15-3
Molecular Weight (g/mol) 144.17
ChEBI CHEBI:10319
MDL Number MFCD00003930
SMILES C1=CC=C2C(=C1)C=CC=C2O
Synonym 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern
IUPAC Name naphthalen-1-ol
InChI Key KJCVRFUGPWSIIH-UHFFFAOYSA-N
Molecular Formula C10H8O
4

3-Bromobenzaldehyde 98.0+%, TCI America™

CAS: 3132-99-8 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003345 InChI Key: SUISZCALMBHJQX-UHFFFAOYSA-N Synonym: m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde PubChem CID: 76583 IUPAC Name: 3-bromobenzaldehyde SMILES: C1=CC(=CC(=C1)Br)C=O

PubChem CID 76583
CAS 3132-99-8
Molecular Weight (g/mol) 185.02
MDL Number MFCD00003345
SMILES C1=CC(=CC(=C1)Br)C=O
Synonym m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde
IUPAC Name 3-bromobenzaldehyde
InChI Key SUISZCALMBHJQX-UHFFFAOYSA-N
Molecular Formula C7H5BrO
5

Guaiacol, Purified, 99%, Spectrum™ Chemical
SDP

CAS: 90-05-1 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N IUPAC Name: 2-methoxyphenol SMILES: COC1=CC=CC=C1O

CAS 90-05-1
Molecular Weight (g/mol) 124.14
SMILES COC1=CC=CC=C1O
IUPAC Name 2-methoxyphenol
InChI Key LHGVFZTZFXWLCP-UHFFFAOYSA-N
Molecular Formula C7H8O2
6

n-Butyl 4-aminobenzoate, 99%

CAS: 94-25-7 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD00017112 InChI Key: IUWVALYLNVXWKX-UHFFFAOYSA-N Synonym: butamben,butesin,butylcaine,butyl aminobenzoate,butesine,butoform,planoform,scuroform,scuroforme,butyl keloform PubChem CID: 2482 ChEBI: CHEBI:3231 IUPAC Name: butyl 4-aminobenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)N

PubChem CID 2482
CAS 94-25-7
Molecular Weight (g/mol) 193.246
ChEBI CHEBI:3231
MDL Number MFCD00017112
SMILES CCCCOC(=O)C1=CC=C(C=C1)N
Synonym butamben,butesin,butylcaine,butyl aminobenzoate,butesine,butoform,planoform,scuroform,scuroforme,butyl keloform
IUPAC Name butyl 4-aminobenzoate
InChI Key IUWVALYLNVXWKX-UHFFFAOYSA-N
Molecular Formula C11H15NO2
7

4-sec-Butylphenol 98.0+%, TCI America™

CAS: 99-71-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002375 InChI Key: ZUTYZAFDFLLILI-UHFFFAOYSA-N PubChem CID: 7453 ChEBI: CHEBI:34442 IUPAC Name: 4-butan-2-ylphenol SMILES: CCC(C)C1=CC=C(C=C1)O

PubChem CID 7453
CAS 99-71-8
Molecular Weight (g/mol) 150.221
ChEBI CHEBI:34442
MDL Number MFCD00002375
SMILES CCC(C)C1=CC=C(C=C1)O
IUPAC Name 4-butan-2-ylphenol
InChI Key ZUTYZAFDFLLILI-UHFFFAOYSA-N
Molecular Formula C10H14O
8

3-Aminobenzoic Acid 99.0+%, TCI America™

CAS: 99-05-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007795 InChI Key: XFDUHJPVQKIXHO-UHFFFAOYSA-N Synonym: m-aminobenzoic acid,m-carboxyaniline,benzoic acid, 3-amino,3-carboxyaniline,maba,benzoic acid, m-amino,aniline-3-carboxylic acid,meta-aminobenzoic acid,m-aminobenzoesaeure,unii-g2x3b3o37u PubChem CID: 7419 ChEBI: CHEBI:42682 IUPAC Name: 3-aminobenzoic acid SMILES: C1=CC(=CC(=C1)N)C(=O)O

PubChem CID 7419
CAS 99-05-8
Molecular Weight (g/mol) 137.138
ChEBI CHEBI:42682
MDL Number MFCD00007795
SMILES C1=CC(=CC(=C1)N)C(=O)O
Synonym m-aminobenzoic acid,m-carboxyaniline,benzoic acid, 3-amino,3-carboxyaniline,maba,benzoic acid, m-amino,aniline-3-carboxylic acid,meta-aminobenzoic acid,m-aminobenzoesaeure,unii-g2x3b3o37u
IUPAC Name 3-aminobenzoic acid
InChI Key XFDUHJPVQKIXHO-UHFFFAOYSA-N
Molecular Formula C7H7NO2
9

Methylparaben, FCC, 99-100.5%, Spectrum™ Chemical
SDP

CAS: 61-68-7 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 InChI Key: HYYBABOKPJLUIN-UHFFFAOYSA-N IUPAC Name: 2-[(2,3-dimethylphenyl)amino]benzoic acid SMILES: CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C

CAS 61-68-7
Molecular Weight (g/mol) 241.29
SMILES CC1=CC=CC(NC2=CC=CC=C2C(O)=O)=C1C
IUPAC Name 2-[(2,3-dimethylphenyl)amino]benzoic acid
InChI Key HYYBABOKPJLUIN-UHFFFAOYSA-N
Molecular Formula C15H15NO2
10

2-Phenoxyethanol, 99%

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

PubChem CID 31236
CAS 122-99-6
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:64275
MDL Number MFCD00002857
SMILES C1=CC=C(C=C1)OCCO
Synonym phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
IUPAC Name 2-phenoxyethanol
InChI Key QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula C8H10O2
11

4-Bromo-2-fluorotoluene 97.0+%, TCI America™

CAS: 51436-99-8 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00013551 InChI Key: YZFVUQSAJMLFOZ-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene PubChem CID: 171040 IUPAC Name: 4-bromo-2-fluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)Br)F

PubChem CID 171040
CAS 51436-99-8
Molecular Weight (g/mol) 189.027
MDL Number MFCD00013551
SMILES CC1=C(C=C(C=C1)Br)F
Synonym 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene
IUPAC Name 4-bromo-2-fluoro-1-methylbenzene
InChI Key YZFVUQSAJMLFOZ-UHFFFAOYSA-N
Molecular Formula C7H6BrF
12

1-Chloro-2-naphthol 98.0+%, TCI America™

CAS: 633-99-8 Molecular Formula: C10H7ClO Molecular Weight (g/mol): 178.615 MDL Number: MFCD00997084 InChI Key: RMSOEGBYNWXXBG-UHFFFAOYSA-N PubChem CID: 12459 IUPAC Name: 1-chloronaphthalen-2-ol SMILES: C1=CC=C2C(=C1)C=CC(=C2Cl)O

PubChem CID 12459
CAS 633-99-8
Molecular Weight (g/mol) 178.615
MDL Number MFCD00997084
SMILES C1=CC=C2C(=C1)C=CC(=C2Cl)O
IUPAC Name 1-chloronaphthalen-2-ol
InChI Key RMSOEGBYNWXXBG-UHFFFAOYSA-N
Molecular Formula C10H7ClO
13

3,4,5-Trimethoxybenzylamine 97.0+%, TCI America™

CAS: 18638-99-8 Molecular Formula: C10H15NO3 Molecular Weight (g/mol): 197.234 MDL Number: MFCD00017150 InChI Key: YUPUSBMJCFBHAP-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine PubChem CID: 87736 IUPAC Name: (3,4,5-trimethoxyphenyl)methanamine SMILES: COC1=CC(=CC(=C1OC)OC)CN

PubChem CID 87736
CAS 18638-99-8
Molecular Weight (g/mol) 197.234
MDL Number MFCD00017150
SMILES COC1=CC(=CC(=C1OC)OC)CN
Synonym 3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine
IUPAC Name (3,4,5-trimethoxyphenyl)methanamine
InChI Key YUPUSBMJCFBHAP-UHFFFAOYSA-N
Molecular Formula C10H15NO3
14

2,4,6-Tribromoanisole 98.0+%, TCI America™

CAS: 607-99-8 Molecular Formula: C7H5Br3O Molecular Weight (g/mol): 344.83 MDL Number: MFCD00192510 InChI Key: YXTRCOAFNXQTKL-UHFFFAOYSA-N Synonym: 2,4,6-tribromoanisole,anisole, 2,4,6-tribromo,benzene, 1,3,5-tribromo-2-methoxy,unii-do7m3m4lx5,1,3,5-tribromo-2-methoxy-benzene,methyl 2,4,6-tribromophenyl ether,do7m3m4lx5,2,6-tribromoanisole,anisole,4,6-tribromo,acmc-209mm5 PubChem CID: 11839 IUPAC Name: 1,3,5-tribromo-2-methoxybenzene SMILES: COC1=C(Br)C=C(Br)C=C1Br

PubChem CID 11839
CAS 607-99-8
Molecular Weight (g/mol) 344.83
MDL Number MFCD00192510
SMILES COC1=C(Br)C=C(Br)C=C1Br
Synonym 2,4,6-tribromoanisole,anisole, 2,4,6-tribromo,benzene, 1,3,5-tribromo-2-methoxy,unii-do7m3m4lx5,1,3,5-tribromo-2-methoxy-benzene,methyl 2,4,6-tribromophenyl ether,do7m3m4lx5,2,6-tribromoanisole,anisole,4,6-tribromo,acmc-209mm5
IUPAC Name 1,3,5-tribromo-2-methoxybenzene
InChI Key YXTRCOAFNXQTKL-UHFFFAOYSA-N
Molecular Formula C7H5Br3O
15

Aspirin, USP, 99.5-100.5%, Spectrum™ Chemical
SDP

CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N IUPAC Name: 2-(acetyloxy)benzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O

CAS 50-78-2
Molecular Weight (g/mol) 180.16
MDL Number MFCD00002430
SMILES CC(=O)OC1=CC=CC=C1C(O)=O
IUPAC Name 2-(acetyloxy)benzoic acid
InChI Key BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula C9H8O4