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.

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7,081 – 7,095 of 78,418 results

7,081

2-Fluorobenzenethiol 98.0+%, TCI America™

CAS: 2557-78-0 Molecular Formula: C6H4FS Molecular Weight (g/mol): 127.16 MDL Number: MFCD00041419 InChI Key: WJTZZPVVTSDNJJ-UHFFFAOYSA-M Synonym: 2-fluorothiophenol,o-fluorothiophenol,o-fluorobenzenethiol,2-fluorobenzene-1-thiol,fluorothiophenol,o-fluoro thiophenol,2-fluoro-thiophenol,2-fluoro-benzenethiol,2-fluorobenzene thiol,pubchem5428 PubChem CID: 520216 IUPAC Name: (2-fluorophenyl)sulfanide SMILES: FC1=CC=CC=C1[S-]

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PubChem CID	520216
CAS	2557-78-0
Molecular Weight (g/mol)	127.16
MDL Number	MFCD00041419
SMILES	FC1=CC=CC=C1[S-]
Synonym	2-fluorothiophenol,o-fluorothiophenol,o-fluorobenzenethiol,2-fluorobenzene-1-thiol,fluorothiophenol,o-fluoro thiophenol,2-fluoro-thiophenol,2-fluoro-benzenethiol,2-fluorobenzene thiol,pubchem5428
IUPAC Name	(2-fluorophenyl)sulfanide
InChI Key	WJTZZPVVTSDNJJ-UHFFFAOYSA-M
Molecular Formula	C6H4FS

7,082

2-(3-Ethoxy-4-ethoxycarbonylphenyl)acetic Acid 98.0+%, TCI America™

CAS: 99469-99-5 Molecular Formula: C13H16O5 Molecular Weight (g/mol): 252.266 MDL Number: MFCD08704233 InChI Key: OTGSESBEJUHCES-UHFFFAOYSA-N Synonym: Ethyl 4-Carboxymethyl-2-ethoxybenzoate, 4-Carboxymethyl-2-ethoxybenzoic Acid Ethyl Ester PubChem CID: 10131212 IUPAC Name: 2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic acid SMILES: CCOC1=C(C=CC(=C1)CC(=O)O)C(=O)OCC

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PubChem CID	10131212
CAS	99469-99-5
Molecular Weight (g/mol)	252.266
MDL Number	MFCD08704233
SMILES	CCOC1=C(C=CC(=C1)CC(=O)O)C(=O)OCC
Synonym	Ethyl 4-Carboxymethyl-2-ethoxybenzoate, 4-Carboxymethyl-2-ethoxybenzoic Acid Ethyl Ester
IUPAC Name	2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic acid
InChI Key	OTGSESBEJUHCES-UHFFFAOYSA-N
Molecular Formula	C13H16O5

7,083

6-Fluoro-m-anisaldehyde 95.0+%, TCI America™

CAS: 105728-90-3 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00070795 InChI Key: DKIQXHIAEMGZGO-UHFFFAOYSA-N Synonym: 6-fluoro-m-anisaldehyde,2-fluoro-5-methoxy-benzaldehyde,2-fluoro-5-methoxy benzaldehyde,benzaldehyde, 2-fluoro-5-methoxy,pubchem2634,4-fluoro-3-formylanisole,acmc-2098hi,ksc490m2b,2-fluoro-5-methyloxy benzaldehyde,2-fluoro-5-methoxybenzaldehyde PubChem CID: 2734872 IUPAC Name: 2-fluoro-5-methoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)F)C=O

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Specifications

PubChem CID	2734872
CAS	105728-90-3
Molecular Weight (g/mol)	154.14
MDL Number	MFCD00070795
SMILES	COC1=CC(=C(C=C1)F)C=O
Synonym	6-fluoro-m-anisaldehyde,2-fluoro-5-methoxy-benzaldehyde,2-fluoro-5-methoxy benzaldehyde,benzaldehyde, 2-fluoro-5-methoxy,pubchem2634,4-fluoro-3-formylanisole,acmc-2098hi,ksc490m2b,2-fluoro-5-methyloxy benzaldehyde,2-fluoro-5-methoxybenzaldehyde
IUPAC Name	2-fluoro-5-methoxybenzaldehyde
InChI Key	DKIQXHIAEMGZGO-UHFFFAOYSA-N
Molecular Formula	C8H7FO2

7,084

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

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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

7,085

1,3-Dibromo-2-iodobenzene 98.0+%, TCI America™

CAS: 19821-80-8 Molecular Formula: C6H3Br2I Molecular Weight (g/mol): 361.80 MDL Number: MFCD00192666 InChI Key: OIFRMZVTJQAPIF-UHFFFAOYSA-N PubChem CID: 4403794 IUPAC Name: 1,3-dibromo-2-iodobenzene SMILES: BrC1=CC=CC(Br)=C1I

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Specifications

PubChem CID	4403794
CAS	19821-80-8
Molecular Weight (g/mol)	361.80
MDL Number	MFCD00192666
SMILES	BrC1=CC=CC(Br)=C1I
IUPAC Name	1,3-dibromo-2-iodobenzene
InChI Key	OIFRMZVTJQAPIF-UHFFFAOYSA-N
Molecular Formula	C6H3Br2I

7,086

4-(4-Heptylphenyl)benzoic Acid 95.0+%, TCI America™

CAS: 58573-94-7 Molecular Formula: C20H24O2 Molecular Weight (g/mol): 296.41 MDL Number: MFCD00143231 InChI Key: XVROSBHWACAQRL-UHFFFAOYSA-N Synonym: 4-Heptylbiphenyl-4′C-carboxylic Acid PubChem CID: 3086355 IUPAC Name: 4-(4-heptylphenyl)benzoic acid SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

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Specifications

PubChem CID	3086355
CAS	58573-94-7
Molecular Weight (g/mol)	296.41
MDL Number	MFCD00143231
SMILES	CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
Synonym	4-Heptylbiphenyl-4′C-carboxylic Acid
IUPAC Name	4-(4-heptylphenyl)benzoic acid
InChI Key	XVROSBHWACAQRL-UHFFFAOYSA-N
Molecular Formula	C20H24O2

7,087

2-Phenyl-2-propanol 98.0+%, TCI America™

CAS: 617-94-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004456 InChI Key: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonym: 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol PubChem CID: 12053 IUPAC Name: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1

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Specifications

PubChem CID	12053
CAS	617-94-7
Molecular Weight (g/mol)	136.19
MDL Number	MFCD00004456
SMILES	CC(C)(O)C1=CC=CC=C1
Synonym	2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol
IUPAC Name	2-phenylpropan-2-ol
InChI Key	BDCFWIDZNLCTMF-UHFFFAOYSA-N
Molecular Formula	C9H12O

7,088

2,6-Dichloro-4-nitroanisole 98.0+%, TCI America™

CAS: 17742-69-7 Molecular Formula: C7H5Cl2NO3 Molecular Weight (g/mol): 222.021 MDL Number: MFCD00061129 InChI Key: GJYVJKPFYCKNEC-UHFFFAOYSA-N Synonym: 2,6-dichloro-4-nitroanisole,2,6-dichloro-4-nitro-anisole,2,6-dichloro-4-nitrophenyl methyl ether,benzene, 1,3-dichloro-2-methoxy-5-nitro,pubchem2687,acmc-1c7kz,gjyvjkpfycknec-uhfffaoysa,1,3-dichloro-2-methoxy-5-nitrobe,3,5-dichloro-4-methoxynitrobenzene,1,3-dichloro-2-methoxy-5-nitro-benzene PubChem CID: 309716 IUPAC Name: 1,3-dichloro-2-methoxy-5-nitrobenzene SMILES: COC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl

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Specifications

PubChem CID	309716
CAS	17742-69-7
Molecular Weight (g/mol)	222.021
MDL Number	MFCD00061129
SMILES	COC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl
Synonym	2,6-dichloro-4-nitroanisole,2,6-dichloro-4-nitro-anisole,2,6-dichloro-4-nitrophenyl methyl ether,benzene, 1,3-dichloro-2-methoxy-5-nitro,pubchem2687,acmc-1c7kz,gjyvjkpfycknec-uhfffaoysa,1,3-dichloro-2-methoxy-5-nitrobe,3,5-dichloro-4-methoxynitrobenzene,1,3-dichloro-2-methoxy-5-nitro-benzene
IUPAC Name	1,3-dichloro-2-methoxy-5-nitrobenzene
InChI Key	GJYVJKPFYCKNEC-UHFFFAOYSA-N
Molecular Formula	C7H5Cl2NO3

7,089

Bis(4-diethylaminophenyl)methanol 98.0+%, TCI America™

CAS: 134-91-8 Molecular Formula: C21H30N2O Molecular Weight (g/mol): 326.484 MDL Number: MFCD00035979 InChI Key: WCIQBUVXZZYFJP-UHFFFAOYSA-N PubChem CID: 67257 IUPAC Name: bis[4-(diethylamino)phenyl]methanol SMILES: CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)O

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Specifications

PubChem CID	67257
CAS	134-91-8
Molecular Weight (g/mol)	326.484
MDL Number	MFCD00035979
SMILES	CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)O
IUPAC Name	bis[4-(diethylamino)phenyl]methanol
InChI Key	WCIQBUVXZZYFJP-UHFFFAOYSA-N
Molecular Formula	C21H30N2O

7,090

Isopropyltriphenylphosphonium Iodide 98.0+%, TCI America™

CAS: 24470-78-8 Molecular Formula: C21H22IP Molecular Weight (g/mol): 432.29 MDL Number: MFCD00031595 InChI Key: HHBXWXJLQYJJBW-UHFFFAOYSA-M Synonym: isopropyltriphenylphosphonium iodide,phosphonium, 1-methylethyl triphenyl-, iodide,isopropyltriphenylphosphanium iodide,isopropyl triphenyl phosphonium iodide,triphenyl propan-2-yl phosphanium iodide,i-propyl triphenylphosphonium iodide,isopropyl triphenylphosphonium iodide,acmc-209gck,ksc493k7j,isopropyltriphenylphosphine iodide PubChem CID: 2723783 IUPAC Name: triphenyl(propan-2-yl)phosphanium iodide SMILES: [I-].CC(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	2723783
CAS	24470-78-8
Molecular Weight (g/mol)	432.29
MDL Number	MFCD00031595
SMILES	[I-].CC(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	isopropyltriphenylphosphonium iodide,phosphonium, 1-methylethyl triphenyl-, iodide,isopropyltriphenylphosphanium iodide,isopropyl triphenyl phosphonium iodide,triphenyl propan-2-yl phosphanium iodide,i-propyl triphenylphosphonium iodide,isopropyl triphenylphosphonium iodide,acmc-209gck,ksc493k7j,isopropyltriphenylphosphine iodide
IUPAC Name	triphenyl(propan-2-yl)phosphanium iodide
InChI Key	HHBXWXJLQYJJBW-UHFFFAOYSA-M
Molecular Formula	C21H22IP

7,091

3,4-Dimethoxytoluene 99.0+%, TCI America™

CAS: 494-99-5 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00016651 InChI Key: GYPMBQZAVBFUIZ-UHFFFAOYSA-N Synonym: 3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol PubChem CID: 68126 IUPAC Name: 1,2-dimethoxy-4-methylbenzene SMILES: CC1=CC(=C(C=C1)OC)OC

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PubChem CID	68126
CAS	494-99-5
Molecular Weight (g/mol)	152.193
MDL Number	MFCD00016651
SMILES	CC1=CC(=C(C=C1)OC)OC
Synonym	3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol
IUPAC Name	1,2-dimethoxy-4-methylbenzene
InChI Key	GYPMBQZAVBFUIZ-UHFFFAOYSA-N
Molecular Formula	C9H12O2

7,092

4-Iodophenetole 98.0+%, TCI America™

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

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Specifications

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

7,093

4-Bromobenzonitrile 97.0+%, TCI America™

CAS: 623-00-7 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001811 InChI Key: HQSCPPCMBMFJJN-UHFFFAOYSA-N Synonym: p-bromobenzonitrile,benzonitrile, 4-bromo,benzonitrile, p-bromo,1-bromo-4-cyanobenzene,4-bromo benzonitrile,4-cyano-bromobenzene,4-bromo-4'-cyanobenzene,4-cyanobromobenzene,bromobenzonitrile-4,4-bromocyanobenzene PubChem CID: 12162 IUPAC Name: 4-bromobenzonitrile SMILES: BrC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	12162
CAS	623-00-7
Molecular Weight (g/mol)	182.02
MDL Number	MFCD00001811
SMILES	BrC1=CC=C(C=C1)C#N
Synonym	p-bromobenzonitrile,benzonitrile, 4-bromo,benzonitrile, p-bromo,1-bromo-4-cyanobenzene,4-bromo benzonitrile,4-cyano-bromobenzene,4-bromo-4'-cyanobenzene,4-cyanobromobenzene,bromobenzonitrile-4,4-bromocyanobenzene
IUPAC Name	4-bromobenzonitrile
InChI Key	HQSCPPCMBMFJJN-UHFFFAOYSA-N
Molecular Formula	C7H4BrN

7,094

4-Ethoxybenzonitrile 98.0+%, TCI America™

CAS: 25117-74-2 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001819 InChI Key: PJRLUGQMEZZDIY-UHFFFAOYSA-N Synonym: benzonitrile, 4-ethoxy,p-ethoxycyanobenzene,p-ethoxybenzonitrile,4-ethoxybenzoic acid nitrile,benzonitrile, p-ethoxy,4-ethoxybenzenecarbonitrile,4-ethoxy-benzonitrile,4-ethyloxybenzonitrile,acmc-1cis8 PubChem CID: 141176 IUPAC Name: 4-ethoxybenzonitrile SMILES: CCOC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	141176
CAS	25117-74-2
Molecular Weight (g/mol)	147.177
MDL Number	MFCD00001819
SMILES	CCOC1=CC=C(C=C1)C#N
Synonym	benzonitrile, 4-ethoxy,p-ethoxycyanobenzene,p-ethoxybenzonitrile,4-ethoxybenzoic acid nitrile,benzonitrile, p-ethoxy,4-ethoxybenzenecarbonitrile,4-ethoxy-benzonitrile,4-ethyloxybenzonitrile,acmc-1cis8
IUPAC Name	4-ethoxybenzonitrile
InChI Key	PJRLUGQMEZZDIY-UHFFFAOYSA-N
Molecular Formula	C9H9NO

7,095

1-Bromo-2-chloro-4-fluorobenzene 98.0+%, TCI America™

CAS: 110407-59-5 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD00142587 InChI Key: LEFQPBAWVJEIJS-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobromobenzene,4-bromo-3-chloro-1-fluorobenzene,1-bromo-2-chloro-4-fluoro-benzene,4-bromo-3-chlorofluorobenzene,2-bromo-5-fluorochlorobenzene,benzene, 1-bromo-2-chloro-4-fluoro,pubchem3755,acmc-1bnv0,2-chloro-4-fluorobromobezene,ksc494m7f PubChem CID: 2733406 IUPAC Name: 1-bromo-2-chloro-4-fluorobenzene SMILES: C1=CC(=C(C=C1F)Cl)Br

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Specifications

PubChem CID	2733406
CAS	110407-59-5
Molecular Weight (g/mol)	209.442
MDL Number	MFCD00142587
SMILES	C1=CC(=C(C=C1F)Cl)Br
Synonym	2-chloro-4-fluorobromobenzene,4-bromo-3-chloro-1-fluorobenzene,1-bromo-2-chloro-4-fluoro-benzene,4-bromo-3-chlorofluorobenzene,2-bromo-5-fluorochlorobenzene,benzene, 1-bromo-2-chloro-4-fluoro,pubchem3755,acmc-1bnv0,2-chloro-4-fluorobromobezene,ksc494m7f
IUPAC Name	1-bromo-2-chloro-4-fluorobenzene
InChI Key	LEFQPBAWVJEIJS-UHFFFAOYSA-N
Molecular Formula	C6H3BrClF

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