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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6,076 – 6,090 of 78,691 results

6,076

4-Aminobenzoic Acid 99.0+%, TCI America™

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

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Specifications

PubChem CID	978
CAS	150-13-0
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:30753
MDL Number	MFCD00007894
SMILES	NC1=CC=C(C=C1)C(O)=O
Synonym	p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name	4-aminobenzoic acid
InChI Key	ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

6,077

5-Amino-2,4,6-triiodoisophthaloyl Dichloride 98.0+%, TCI America™

CAS: 37441-29-5 Molecular Formula: C8H2Cl2I3NO2 Molecular Weight (g/mol): 595.722 MDL Number: MFCD00270836 InChI Key: FBJVWRITWDYUAC-UHFFFAOYSA-N PubChem CID: 9894858 IUPAC Name: 5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride SMILES: C1(=C(C(=C(C(=C1I)N)I)C(=O)Cl)I)C(=O)Cl

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Specifications

PubChem CID	9894858
CAS	37441-29-5
Molecular Weight (g/mol)	595.722
MDL Number	MFCD00270836
SMILES	C1(=C(C(=C(C(=C1I)N)I)C(=O)Cl)I)C(=O)Cl
IUPAC Name	5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride
InChI Key	FBJVWRITWDYUAC-UHFFFAOYSA-N
Molecular Formula	C8H2Cl2I3NO2

6,078

1-Iodo-4-nitrobenzene 99.0+%, TCI America™

CAS: 636-98-6 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.007 MDL Number: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Synonym: benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I

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Specifications

PubChem CID	12495
CAS	636-98-6
Molecular Weight (g/mol)	249.007
MDL Number	MFCD00007299
SMILES	C1=CC(=CC=C1[N+](=O)[O-])I
Synonym	benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene
IUPAC Name	1-iodo-4-nitrobenzene
InChI Key	SCCCFNJTCDSLCY-UHFFFAOYSA-N
Molecular Formula	C6H4INO2

6,079

1,5-Diphenylcarbonohydrazide 98.0+%, TCI America™

CAS: 140-22-7 Molecular Formula: C13H14N4O Molecular Weight (g/mol): 242.282 MDL Number: MFCD00003013 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

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Specifications

PubChem CID	8789
CAS	140-22-7
Molecular Weight (g/mol)	242.282
ChEBI	CHEBI:4641
MDL Number	MFCD00003013
SMILES	C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
Synonym	1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl
IUPAC Name	1,3-dianilinourea
InChI Key	KSPIHGBHKVISFI-UHFFFAOYSA-N
Molecular Formula	C13H14N4O

6,080

4-Hydroxybenzoic Acid 99.0+%, TCI America™

CAS: 99-96-7 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00002547 InChI Key: FJKROLUGYXJWQN-UHFFFAOYSA-N Synonym: p-hydroxybenzoic acid,4-carboxyphenol,benzoic acid, 4-hydroxy,p-salicylic acid,benzoic acid, p-hydroxy,para-hydroxybenzoic acid,4-hydroxybenzoesaeure,p-carboxyphenol,4-hydroxy benzoic acid,p-oxybenzoesaure german PubChem CID: 135 ChEBI: CHEBI:30763 IUPAC Name: 4-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C=C1

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Specifications

PubChem CID	135
CAS	99-96-7
Molecular Weight (g/mol)	138.12
ChEBI	CHEBI:30763
MDL Number	MFCD00002547
SMILES	OC(=O)C1=CC=C(O)C=C1
Synonym	p-hydroxybenzoic acid,4-carboxyphenol,benzoic acid, 4-hydroxy,p-salicylic acid,benzoic acid, p-hydroxy,para-hydroxybenzoic acid,4-hydroxybenzoesaeure,p-carboxyphenol,4-hydroxy benzoic acid,p-oxybenzoesaure german
IUPAC Name	4-hydroxybenzoic acid
InChI Key	FJKROLUGYXJWQN-UHFFFAOYSA-N
Molecular Formula	C7H6O3

6,081

Ethyl 4-Iodobenzoate 98.0+%, TCI America™

CAS: 51934-41-9 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.07 MDL Number: MFCD00017344 InChI Key: YCBJOQUNPLTBGG-UHFFFAOYSA-N Synonym: p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate PubChem CID: 142891 IUPAC Name: ethyl 4-iodobenzoate SMILES: CCOC(=O)C1=CC=C(I)C=C1

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PubChem CID	142891
CAS	51934-41-9
Molecular Weight (g/mol)	276.07
MDL Number	MFCD00017344
SMILES	CCOC(=O)C1=CC=C(I)C=C1
Synonym	p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate
IUPAC Name	ethyl 4-iodobenzoate
InChI Key	YCBJOQUNPLTBGG-UHFFFAOYSA-N
Molecular Formula	C9H9IO2

6,082

[Bis(trifluoroacetoxy)iodo]pentafluorobenzene 97.0+%, TCI America™

CAS: 14353-88-9 Molecular Formula: C10F11IO4 Molecular Weight (g/mol): 519.99 MDL Number: MFCD00191612 InChI Key: OQWAXRPJEPTTSZ-UHFFFAOYSA-N Synonym: Pentafluoro[bis(trifluoroacetoxy)iodo]benzene PubChem CID: 626316 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate SMILES: FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F

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Specifications

PubChem CID	626316
CAS	14353-88-9
Molecular Weight (g/mol)	519.99
MDL Number	MFCD00191612
SMILES	FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F
Synonym	Pentafluoro[bis(trifluoroacetoxy)iodo]benzene
IUPAC Name	(2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate
InChI Key	OQWAXRPJEPTTSZ-UHFFFAOYSA-N
Molecular Formula	C10F11IO4

6,083

2-(4-Hydroxyphenyl)ethanol 98.0+%, TCI America™

CAS: 501-94-0 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00002902 InChI Key: YCCILVSKPBXVIP-UHFFFAOYSA-N Synonym: tyrosol,2-4-hydroxyphenyl ethanol,4-hydroxyphenethyl alcohol,4-2-hydroxyethyl phenol,4-hydroxyphenylethanol,4-hydroxybenzeneethanol,p-hydroxyphenethyl alcohol,benzeneethanol, 4-hydroxy,p-tyrosol,p-hydroxyphenylethanol PubChem CID: 10393 ChEBI: CHEBI:1879 IUPAC Name: 4-(2-hydroxyethyl)phenol SMILES: C1=CC(=CC=C1CCO)O

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Specifications

PubChem CID	10393
CAS	501-94-0
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:1879
MDL Number	MFCD00002902
SMILES	C1=CC(=CC=C1CCO)O
Synonym	tyrosol,2-4-hydroxyphenyl ethanol,4-hydroxyphenethyl alcohol,4-2-hydroxyethyl phenol,4-hydroxyphenylethanol,4-hydroxybenzeneethanol,p-hydroxyphenethyl alcohol,benzeneethanol, 4-hydroxy,p-tyrosol,p-hydroxyphenylethanol
IUPAC Name	4-(2-hydroxyethyl)phenol
InChI Key	YCCILVSKPBXVIP-UHFFFAOYSA-N
Molecular Formula	C8H10O2

6,084

Isopropyl 4-Hydroxybenzoate 99.0+%, TCI America™

CAS: 4191-73-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016468 InChI Key: CMHMMKSPYOOVGI-UHFFFAOYSA-N Synonym: isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester PubChem CID: 20161 IUPAC Name: propan-2-yl 4-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=C(O)C=C1

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Specifications

PubChem CID	20161
CAS	4191-73-5
Molecular Weight (g/mol)	180.20
MDL Number	MFCD00016468
SMILES	CC(C)OC(=O)C1=CC=C(O)C=C1
Synonym	isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester
IUPAC Name	propan-2-yl 4-hydroxybenzoate
InChI Key	CMHMMKSPYOOVGI-UHFFFAOYSA-N
Molecular Formula	C10H12O3

6,085

Fenofibrate 98.0+%, TCI America™

CAS: 49562-28-9 Molecular Formula: C20H21ClO4 Molecular Weight (g/mol): 360.834 MDL Number: MFCD00133314 InChI Key: YMTINGFKWWXKFG-UHFFFAOYSA-N Synonym: fenofibrate,procetofen,antara,lipanthyl,lipantil,tricor,fenobrate,lipidil,secalip,fenoglide PubChem CID: 3339 ChEBI: CHEBI:5001 IUPAC Name: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

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Specifications

PubChem CID	3339
CAS	49562-28-9
Molecular Weight (g/mol)	360.834
ChEBI	CHEBI:5001
MDL Number	MFCD00133314
SMILES	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
Synonym	fenofibrate,procetofen,antara,lipanthyl,lipantil,tricor,fenobrate,lipidil,secalip,fenoglide
IUPAC Name	propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
InChI Key	YMTINGFKWWXKFG-UHFFFAOYSA-N
Molecular Formula	C20H21ClO4

6,086

Bis(triphenylphosphine)palladium(II) Dichloride 98.0+%, TCI America™

CAS: 13965-03-2 Molecular Formula: C36H30Cl2P2Pd Molecular Weight (g/mol): 701.90 MDL Number: MFCD00009593 InChI Key: YNHIGQDRGKUECZ-UHFFFAOYSA-L Synonym: bis triphenylphosphine palladium ii dichloride,bis triphenylphosphine palladium ii chloride,dichlorobis triphenylphosphine palladium,bis triphenylphosphine palladium chloride,bis triphenylphosphine palladiuml ii dichloride,palladium 2+ ; triphenylphosphane; dichloride,trans-dichlorobis triphenylphosphine palladium ii 1g PubChem CID: 131664180 IUPAC Name: palladium(2+) bis(triphenylphosphane) dichloride SMILES: [Cl-].[Cl-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	131664180
CAS	13965-03-2
Molecular Weight (g/mol)	701.90
MDL Number	MFCD00009593
SMILES	[Cl-].[Cl-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	bis triphenylphosphine palladium ii dichloride,bis triphenylphosphine palladium ii chloride,dichlorobis triphenylphosphine palladium,bis triphenylphosphine palladium chloride,bis triphenylphosphine palladiuml ii dichloride,palladium 2+ ; triphenylphosphane; dichloride,trans-dichlorobis triphenylphosphine palladium ii 1g
IUPAC Name	palladium(2+) bis(triphenylphosphane) dichloride
InChI Key	YNHIGQDRGKUECZ-UHFFFAOYSA-L
Molecular Formula	C36H30Cl2P2Pd

6,087

2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazolium Chloride 98.0+%, TCI America™

CAS: 146-68-9 Molecular Formula: C19H13ClIN5O2 Molecular Weight (g/mol): 505.70 MDL Number: MFCD00011961,MFCD00149999 InChI Key: JORABGDXCIBAFL-UHFFFAOYSA-M Synonym: iodonitrotetrazolium chloride,iodonitrotetrazolium,iodonitrotetrazolium purple,iodonitrotetrazolium violet,2-4-iodophenyl-3-4-nitrophenyl-5-phenyltetrazolium chloride,iodonitro tetrazolium,int,p-iodonitrotetrazolium violet,int chemical,2-p-iodophenyl-3-p-nitrophenyl-5-phenyltetrazolium chloride PubChem CID: 64957 ChEBI: CHEBI:75421 IUPAC Name: 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium chloride SMILES: [Cl-].[O-][N+](=O)C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=C(I)C=C1)C1=CC=CC=C1

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Specifications

PubChem CID	64957
CAS	146-68-9
Molecular Weight (g/mol)	505.70
ChEBI	CHEBI:75421
MDL Number	MFCD00011961,MFCD00149999
SMILES	[Cl-].[O-][N+](=O)C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=C(I)C=C1)C1=CC=CC=C1
Synonym	iodonitrotetrazolium chloride,iodonitrotetrazolium,iodonitrotetrazolium purple,iodonitrotetrazolium violet,2-4-iodophenyl-3-4-nitrophenyl-5-phenyltetrazolium chloride,iodonitro tetrazolium,int,p-iodonitrotetrazolium violet,int chemical,2-p-iodophenyl-3-p-nitrophenyl-5-phenyltetrazolium chloride
IUPAC Name	3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium chloride
InChI Key	JORABGDXCIBAFL-UHFFFAOYSA-M
Molecular Formula	C19H13ClIN5O2

6,088

2-Dimethylaminomethylphenol (contains Phenol) 70.0+%, TCI America™

CAS: 120-65-0 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00045793 InChI Key: FUIQBJHUESBZNU-UHFFFAOYSA-N PubChem CID: 32897 IUPAC Name: 2-[(dimethylamino)methyl]phenol SMILES: CN(C)CC1=CC=CC=C1O

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Specifications

PubChem CID	32897
CAS	120-65-0
Molecular Weight (g/mol)	151.209
MDL Number	MFCD00045793
SMILES	CN(C)CC1=CC=CC=C1O
IUPAC Name	2-[(dimethylamino)methyl]phenol
InChI Key	FUIQBJHUESBZNU-UHFFFAOYSA-N
Molecular Formula	C9H13NO

6,089

9-Fluorenol 99.0+%, TCI America™

CAS: 1689-64-1 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.222 MDL Number: MFCD00001135 InChI Key: AFMVESZOYKHDBJ-UHFFFAOYSA-N Synonym: 9-hydroxyfluorene,9-fluorenol,fluoren-9-ol,fluorenol,9-hydroxy fluorene,diphenylene carbinol,unii-bv0q72r613,hydroxyfluoren,9-hydroxy-fluoren,9h-fluorene-9-ol PubChem CID: 74318 ChEBI: CHEBI:16904 IUPAC Name: 9H-fluoren-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)O

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Specifications

PubChem CID	74318
CAS	1689-64-1
Molecular Weight (g/mol)	182.222
ChEBI	CHEBI:16904
MDL Number	MFCD00001135
SMILES	C1=CC=C2C(=C1)C(C3=CC=CC=C32)O
Synonym	9-hydroxyfluorene,9-fluorenol,fluoren-9-ol,fluorenol,9-hydroxy fluorene,diphenylene carbinol,unii-bv0q72r613,hydroxyfluoren,9-hydroxy-fluoren,9h-fluorene-9-ol
IUPAC Name	9H-fluoren-9-ol
InChI Key	AFMVESZOYKHDBJ-UHFFFAOYSA-N
Molecular Formula	C13H10O

6,090

4-tert-Butylphthalonitrile 98.0+%, TCI America™

CAS: 32703-80-3 Molecular Formula: C12H12N2 Molecular Weight (g/mol): 184.242 MDL Number: MFCD00060112 InChI Key: LOTMIRVNJTVTSU-UHFFFAOYSA-N Synonym: 4-tert-Butyl-1,2-dicyanobenzene PubChem CID: 122931 IUPAC Name: 4-tert-butylbenzene-1,2-dicarbonitrile SMILES: CC(C)(C)C1=CC(=C(C=C1)C#N)C#N

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Specifications

PubChem CID	122931
CAS	32703-80-3
Molecular Weight (g/mol)	184.242
MDL Number	MFCD00060112
SMILES	CC(C)(C)C1=CC(=C(C=C1)C#N)C#N
Synonym	4-tert-Butyl-1,2-dicyanobenzene
IUPAC Name	4-tert-butylbenzene-1,2-dicarbonitrile
InChI Key	LOTMIRVNJTVTSU-UHFFFAOYSA-N
Molecular Formula	C12H12N2

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