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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 (127)
Phenols (12)
Naphthalenes (5)
Phenol esters (1)
Pyrenes (1)
Unsubstituted Phenols (1)

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1 – 15 of 138 results
1

Phenyl bromoacetate, 98%

CAS: 620-72-4 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00192391 InChI Key: UEWYUCGVQMZMGY-UHFFFAOYSA-N Synonym: phenyl bromoacetate,acetic acid, bromo-, phenyl ester,bromoacetic acid phenyl ester,bromoacetic acid, phenyl ester,phenylbromessigester,phenyl bromoacetate #,acmc-209mzb,phenyl 2-bromanylethanoate,ksc352o8b PubChem CID: 564919 IUPAC Name: phenyl 2-bromoacetate SMILES: C1=CC=C(C=C1)OC(=O)CBr

PubChem CID 564919
CAS 620-72-4
Molecular Weight (g/mol) 215.046
MDL Number MFCD00192391
SMILES C1=CC=C(C=C1)OC(=O)CBr
Synonym phenyl bromoacetate,acetic acid, bromo-, phenyl ester,bromoacetic acid phenyl ester,bromoacetic acid, phenyl ester,phenylbromessigester,phenyl bromoacetate #,acmc-209mzb,phenyl 2-bromanylethanoate,ksc352o8b
IUPAC Name phenyl 2-bromoacetate
InChI Key UEWYUCGVQMZMGY-UHFFFAOYSA-N
Molecular Formula C8H7BrO2
2

2-(2-Fluorophenyl)ethanol, 99%

CAS: 50919-06-7 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.16 MDL Number: MFCD00002887 InChI Key: HNIGZVZDWCTFPR-UHFFFAOYSA-N Synonym: 2-fluorophenethyl alcohol,2-2-fluorophenyl ethanol,2-2-fluorophenyl ethan-1-ol,benzeneethanol, 2-fluoro,2-fluorophenethylalcohol,2-2-fluoro-phenyl-ethanol,2-fluorobenzeneethanol,acmc-1axdv,o-fluorophenethyl alcohol,2-fluorophenylethyl alcohol PubChem CID: 2733296 IUPAC Name: 2-(2-fluorophenyl)ethanol SMILES: OCCC1=CC=CC=C1F

PubChem CID 2733296
CAS 50919-06-7
Molecular Weight (g/mol) 140.16
MDL Number MFCD00002887
SMILES OCCC1=CC=CC=C1F
Synonym 2-fluorophenethyl alcohol,2-2-fluorophenyl ethanol,2-2-fluorophenyl ethan-1-ol,benzeneethanol, 2-fluoro,2-fluorophenethylalcohol,2-2-fluoro-phenyl-ethanol,2-fluorobenzeneethanol,acmc-1axdv,o-fluorophenethyl alcohol,2-fluorophenylethyl alcohol
IUPAC Name 2-(2-fluorophenyl)ethanol
InChI Key HNIGZVZDWCTFPR-UHFFFAOYSA-N
Molecular Formula C8H9FO
3

2-Methoxyphenethyl Alcohol 98.0+%, TCI America™

CAS: 7417-18-7 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002889 InChI Key: XLDRDNQLEMMNNH-UHFFFAOYSA-N Synonym: 2-(2-Hydroxyethyl)anisole, 2-(2-Methoxyphenyl)ethanol PubChem CID: 81909 IUPAC Name: 2-(2-methoxyphenyl)ethan-1-ol SMILES: COC1=CC=CC=C1CCO

PubChem CID 81909
CAS 7417-18-7
Molecular Weight (g/mol) 152.19
MDL Number MFCD00002889
SMILES COC1=CC=CC=C1CCO
Synonym 2-(2-Hydroxyethyl)anisole, 2-(2-Methoxyphenyl)ethanol
IUPAC Name 2-(2-methoxyphenyl)ethan-1-ol
InChI Key XLDRDNQLEMMNNH-UHFFFAOYSA-N
Molecular Formula C9H12O2
4

3-Methoxyphenyl isothiocyanate, 98%

CAS: 3125-64-2 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00040335 InChI Key: WHBYCPUKGYEYFU-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isothiocyanate,3-methoxyphenylisothiocyanate,1-isothiocyanato-3-methoxy-benzene,3-isothiocyanatoanisole,acmc-1cldj,m-methoxyphenyl isothiocyanate,3-methoxy phenyl isothiocyanate,3-methoxy-phenyl isothiocyanate,# PubChem CID: 137832 IUPAC Name: 1-isothiocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=S

PubChem CID 137832
CAS 3125-64-2
Molecular Weight (g/mol) 165.21
MDL Number MFCD00040335
SMILES COC1=CC=CC(=C1)N=C=S
Synonym 3-methoxyphenyl isothiocyanate,3-methoxyphenylisothiocyanate,1-isothiocyanato-3-methoxy-benzene,3-isothiocyanatoanisole,acmc-1cldj,m-methoxyphenyl isothiocyanate,3-methoxy phenyl isothiocyanate,3-methoxy-phenyl isothiocyanate,#
IUPAC Name 1-isothiocyanato-3-methoxybenzene
InChI Key WHBYCPUKGYEYFU-UHFFFAOYSA-N
Molecular Formula C8H7NOS
5

4-Iodophenetole, 97%

CAS: 699-08-1 Molecular Formula: C8H9IO Molecular Weight (g/mol): 248.063 MDL Number: MFCD00061124 InChI Key: VSIIHWOJPSSIDI-UHFFFAOYSA-N Synonym: 4-iodophenetole,p-iodophenetole,1-ethoxy-4-iodo-benzene,4-ethoxyiodobenzene,4-ethoxy-4-iodobenzene,benzene, 1-ethoxy-4-iodo,4-iodophenyl ethyl ether,phenetole, p-iodo,p-ethoxyiodobenzene,ethyl 4-iodophenyl ether PubChem CID: 220700 IUPAC Name: 1-ethoxy-4-iodobenzene SMILES: CCOC1=CC=C(C=C1)I

PubChem CID 220700
CAS 699-08-1
Molecular Weight (g/mol) 248.063
MDL Number MFCD00061124
SMILES CCOC1=CC=C(C=C1)I
Synonym 4-iodophenetole,p-iodophenetole,1-ethoxy-4-iodo-benzene,4-ethoxyiodobenzene,4-ethoxy-4-iodobenzene,benzene, 1-ethoxy-4-iodo,4-iodophenyl ethyl ether,phenetole, p-iodo,p-ethoxyiodobenzene,ethyl 4-iodophenyl ether
IUPAC Name 1-ethoxy-4-iodobenzene
InChI Key VSIIHWOJPSSIDI-UHFFFAOYSA-N
Molecular Formula C8H9IO
6

3-Bromo-4-fluorobenzonitrile, 98%

CAS: 79630-23-2 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD00055432 InChI Key: JKCYKISVUIVZCS-UHFFFAOYSA-N Synonym: 5-cyano-2-fluorobromobenzene,benzonitrile, 3-bromo-4-fluoro,3-bromo-4-fluorobenzenecarbonitrile,4-fluoro-3-bromobenzonitrile,3-bromo-4-fluoro-benzonitrile,pubchem1580,3-bromo-4-flurobenzonitrile,acmc-1bh34,3-bromo,4-fluorobenzonitrile,ksc494e4j PubChem CID: 123579 IUPAC Name: 3-bromo-4-fluorobenzonitrile SMILES: C1=CC(=C(C=C1C#N)Br)F

PubChem CID 123579
CAS 79630-23-2
Molecular Weight (g/mol) 200.01
MDL Number MFCD00055432
SMILES C1=CC(=C(C=C1C#N)Br)F
Synonym 5-cyano-2-fluorobromobenzene,benzonitrile, 3-bromo-4-fluoro,3-bromo-4-fluorobenzenecarbonitrile,4-fluoro-3-bromobenzonitrile,3-bromo-4-fluoro-benzonitrile,pubchem1580,3-bromo-4-flurobenzonitrile,acmc-1bh34,3-bromo,4-fluorobenzonitrile,ksc494e4j
IUPAC Name 3-bromo-4-fluorobenzonitrile
InChI Key JKCYKISVUIVZCS-UHFFFAOYSA-N
Molecular Formula C7H3BrFN
7

Methyl 5-Bromo-2-iodobenzoate 95.0+%, TCI America™

CAS: 181765-86-6 Molecular Formula: C8H6BrIO2 Molecular Weight (g/mol): 340.94 MDL Number: MFCD00144771 InChI Key: CJRHLSZJEFJDLA-UHFFFAOYSA-N Synonym: 5-Bromo-2-iodobenzoic Acid Methyl Ester PubChem CID: 11078356 IUPAC Name: methyl 5-bromo-2-iodobenzoate SMILES: COC(=O)C1=C(I)C=CC(Br)=C1

PubChem CID 11078356
CAS 181765-86-6
Molecular Weight (g/mol) 340.94
MDL Number MFCD00144771
SMILES COC(=O)C1=C(I)C=CC(Br)=C1
Synonym 5-Bromo-2-iodobenzoic Acid Methyl Ester
IUPAC Name methyl 5-bromo-2-iodobenzoate
InChI Key CJRHLSZJEFJDLA-UHFFFAOYSA-N
Molecular Formula C8H6BrIO2
8

4-Bromo-alpha-methylbenzyl Alcohol 99.0+%, TCI America™

CAS: 5391-88-8 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD00004514,MFCD06201860,MFCD06201861 InChI Key: XTDTYSBVMBQIBT-UHFFFAOYNA-N Synonym: 1-4-bromophenyl ethanol,4-bromo-alpha-methylbenzyl alcohol,1-4-bromophenyl ethan-1-ol,4-bromophenyl methyl carbinol,p-bromophenylmethylcarbinol,4-bromophenylmethylcarbinol,4-bromo-a-methylbenzyl alcohol,benzenemethanol, 4-bromo-alpha-methyl,benzyl alcohol, p-bromo-.alpha.-methyl,benzenemethanol, 4-bromo-.alpha.-methyl PubChem CID: 95352 IUPAC Name: 1-(4-bromophenyl)ethan-1-ol SMILES: CC(O)C1=CC=C(Br)C=C1

PubChem CID 95352
CAS 5391-88-8
Molecular Weight (g/mol) 201.06
MDL Number MFCD00004514,MFCD06201860,MFCD06201861
SMILES CC(O)C1=CC=C(Br)C=C1
Synonym 1-4-bromophenyl ethanol,4-bromo-alpha-methylbenzyl alcohol,1-4-bromophenyl ethan-1-ol,4-bromophenyl methyl carbinol,p-bromophenylmethylcarbinol,4-bromophenylmethylcarbinol,4-bromo-a-methylbenzyl alcohol,benzenemethanol, 4-bromo-alpha-methyl,benzyl alcohol, p-bromo-.alpha.-methyl,benzenemethanol, 4-bromo-.alpha.-methyl
IUPAC Name 1-(4-bromophenyl)ethan-1-ol
InChI Key XTDTYSBVMBQIBT-UHFFFAOYNA-N
Molecular Formula C8H9BrO
9

Methyl 4-Methoxysalicylate 99.0+%, TCI America™

CAS: 5446-02-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00008424 InChI Key: ZICRWXFGZCVTBZ-UHFFFAOYSA-N Synonym: methyl 4-methoxysalicylate,2-hydroxy-4-methoxy-benzoic acid methyl ester,methyl-4-methoxysalicylate,benzoic acid, 2-hydroxy-4-methoxy-, methyl ester,2-hydroxy-4-methoxybenzoic acid methyl ester,4-methoxysalicylic acid methyl ester,acmc-2097hp,methyl 2-hydroxy-p-anisate,ksc494a7p,2-methoxycarbonyl-5-methoxyphenol PubChem CID: 79523 IUPAC Name: methyl 2-hydroxy-4-methoxybenzoate SMILES: COC1=CC(=C(C=C1)C(=O)OC)O

PubChem CID 79523
CAS 5446-02-6
Molecular Weight (g/mol) 182.18
MDL Number MFCD00008424
SMILES COC1=CC(=C(C=C1)C(=O)OC)O
Synonym methyl 4-methoxysalicylate,2-hydroxy-4-methoxy-benzoic acid methyl ester,methyl-4-methoxysalicylate,benzoic acid, 2-hydroxy-4-methoxy-, methyl ester,2-hydroxy-4-methoxybenzoic acid methyl ester,4-methoxysalicylic acid methyl ester,acmc-2097hp,methyl 2-hydroxy-p-anisate,ksc494a7p,2-methoxycarbonyl-5-methoxyphenol
IUPAC Name methyl 2-hydroxy-4-methoxybenzoate
InChI Key ZICRWXFGZCVTBZ-UHFFFAOYSA-N
Molecular Formula C9H10O4
10

3-Phenyl-2,4-pentanedione 98.0+%, TCI America™

CAS: 5910-25-8 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00048223 InChI Key: YIWTXSVNRCWBAC-UHFFFAOYSA-N Synonym: 3-Phenylacetylacetone PubChem CID: 233402 IUPAC Name: 3-phenylpentane-2,4-dione SMILES: CC(=O)C(C1=CC=CC=C1)C(=O)C

PubChem CID 233402
CAS 5910-25-8
Molecular Weight (g/mol) 176.215
MDL Number MFCD00048223
SMILES CC(=O)C(C1=CC=CC=C1)C(=O)C
Synonym 3-Phenylacetylacetone
IUPAC Name 3-phenylpentane-2,4-dione
InChI Key YIWTXSVNRCWBAC-UHFFFAOYSA-N
Molecular Formula C11H12O2
11

2-sec-Butylphenol 97.0+%, TCI America™

CAS: 89-72-5 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002225 InChI Key: NGFPWHGISWUQOI-UHFFFAOYSA-N Synonym: 2-sec-butylphenol,o-sec-butylphenol,2-1-methylpropyl phenol,2-2-butyl phenol,phenol, 2-1-methylpropyl,2-butan-2-yl phenol,phenol, o-sec-butyl,2-sec.butylfenol,isopropyl o-cresol,2-sec.butylfenol czech PubChem CID: 6984 ChEBI: CHEBI:34303 IUPAC Name: 2-butan-2-ylphenol SMILES: CCC(C)C1=CC=CC=C1O

PubChem CID 6984
CAS 89-72-5
Molecular Weight (g/mol) 150.221
ChEBI CHEBI:34303
MDL Number MFCD00002225
SMILES CCC(C)C1=CC=CC=C1O
Synonym 2-sec-butylphenol,o-sec-butylphenol,2-1-methylpropyl phenol,2-2-butyl phenol,phenol, 2-1-methylpropyl,2-butan-2-yl phenol,phenol, o-sec-butyl,2-sec.butylfenol,isopropyl o-cresol,2-sec.butylfenol czech
IUPAC Name 2-butan-2-ylphenol
InChI Key NGFPWHGISWUQOI-UHFFFAOYSA-N
Molecular Formula C10H14O
12

3-Aminobenzylamine 98.0+%, TCI America™

CAS: 4403-70-7 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.17 MDL Number: MFCD00078355 InChI Key: ZDBWYUOUYNQZBM-UHFFFAOYSA-N Synonym: 3-aminobenzylamine,3-aminomethyl aniline,m-aminobenzylamine,benzenemethanamine, 3-amino,3-aminomethyl-aniline,pubchem5802,alpha-amino-m-toluidine,3-aminomethyl phenylamine,3-aminophenyl methylamine PubChem CID: 4628831 IUPAC Name: 3-(aminomethyl)aniline SMILES: NCC1=CC(N)=CC=C1

PubChem CID 4628831
CAS 4403-70-7
Molecular Weight (g/mol) 122.17
MDL Number MFCD00078355
SMILES NCC1=CC(N)=CC=C1
Synonym 3-aminobenzylamine,3-aminomethyl aniline,m-aminobenzylamine,benzenemethanamine, 3-amino,3-aminomethyl-aniline,pubchem5802,alpha-amino-m-toluidine,3-aminomethyl phenylamine,3-aminophenyl methylamine
IUPAC Name 3-(aminomethyl)aniline
InChI Key ZDBWYUOUYNQZBM-UHFFFAOYSA-N
Molecular Formula C7H10N2
13

1-Nitro-3,5-bis(trifluoromethyl)benzene 97.0+%, TCI America™

CAS: 328-75-6 Molecular Formula: C8H3F6NO2 Molecular Weight (g/mol): 259.11 MDL Number: MFCD00000384 InChI Key: GMUWJDVVXLBMEZ-UHFFFAOYSA-N Synonym: 1-nitro-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl nitrobenzene,1,3-bis trifluoromethyl-5-nitrobenzene,3,5-di trifluoromethyl nitrobenzene,benzene, 1-nitro-3,5-bis trifluoromethyl,3,5-bis-trifluoromethylnitrobenzene,3,5-di trifluoromethylnitro benzene,3,5-bis-trifluoromethyl nitrobenzene,5-nitro-1,3-bis trifluoromethyl benzene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-5-nitroxylene PubChem CID: 67603 IUPAC Name: 1-nitro-3,5-bis(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

PubChem CID 67603
CAS 328-75-6
Molecular Weight (g/mol) 259.11
MDL Number MFCD00000384
SMILES [O-][N+](=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym 1-nitro-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl nitrobenzene,1,3-bis trifluoromethyl-5-nitrobenzene,3,5-di trifluoromethyl nitrobenzene,benzene, 1-nitro-3,5-bis trifluoromethyl,3,5-bis-trifluoromethylnitrobenzene,3,5-di trifluoromethylnitro benzene,3,5-bis-trifluoromethyl nitrobenzene,5-nitro-1,3-bis trifluoromethyl benzene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-5-nitroxylene
IUPAC Name 1-nitro-3,5-bis(trifluoromethyl)benzene
InChI Key GMUWJDVVXLBMEZ-UHFFFAOYSA-N
Molecular Formula C8H3F6NO2
14

1-Bromo-3-chloro-5-fluorobenzene 98.0+%, TCI America™

CAS: 33863-76-2 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD00070747 InChI Key: GGMDFPMASIXEIR-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobromobenzene,1-bromo3-chloro-5-fluorobenzene,1-bromo-3-chloro-5-fluoro-benzene,benzene, 1-bromo-3-chloro-5-fluoro,1,3,5-fluorochlorobromobenzene,pubchem2261,acmc-209i3i,ksc494q7t,3-chloro-5-fluoro-bromobenzene,1-bromo-3-chloro-5-flurobenzene PubChem CID: 2736223 IUPAC Name: 1-bromo-3-chloro-5-fluorobenzene SMILES: C1=C(C=C(C=C1Cl)Br)F

PubChem CID 2736223
CAS 33863-76-2
Molecular Weight (g/mol) 209.442
MDL Number MFCD00070747
SMILES C1=C(C=C(C=C1Cl)Br)F
Synonym 3-chloro-5-fluorobromobenzene,1-bromo3-chloro-5-fluorobenzene,1-bromo-3-chloro-5-fluoro-benzene,benzene, 1-bromo-3-chloro-5-fluoro,1,3,5-fluorochlorobromobenzene,pubchem2261,acmc-209i3i,ksc494q7t,3-chloro-5-fluoro-bromobenzene,1-bromo-3-chloro-5-flurobenzene
IUPAC Name 1-bromo-3-chloro-5-fluorobenzene
InChI Key GGMDFPMASIXEIR-UHFFFAOYSA-N
Molecular Formula C6H3BrClF
15

Sodium 3,5-Dichloro-2-Hydroxybenzenesulfonate, Sigma-Aldrich

CAS: 54970-72-8 Molecular Weight (g/mol): 265.05 g/mol

CAS 54970-72-8
Molecular Weight (g/mol) 265.05 g/mol