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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9,736 – 9,750 of 78,442 results

9,736

(R)-(+)-XylBINAP 97.0+%, TCI America™

CAS: 137219-86-4 Molecular Formula: C52H48P2 Molecular Weight (g/mol): 734.904 MDL Number: MFCD01630821 InChI Key: MXGXXBYVDMVJAO-UHFFFAOYSA-N Synonym: s-dm-binap,dm-binap,r-dm-binap,s---2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,s-3,5-xylyl-binap,r-+-2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,3,5-xylyl-binap,s-xylyl-binap,r-2,2'-bis bis 3,5-dimethylphenyl phosphino-1,1'-binaphthalene,r-+-xylbinap PubChem CID: 4189905 IUPAC Name: [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane SMILES: CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

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Specifications

PubChem CID	4189905
CAS	137219-86-4
Molecular Weight (g/mol)	734.904
MDL Number	MFCD01630821
SMILES	CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
Synonym	s-dm-binap,dm-binap,r-dm-binap,s---2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,s-3,5-xylyl-binap,r-+-2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,3,5-xylyl-binap,s-xylyl-binap,r-2,2'-bis bis 3,5-dimethylphenyl phosphino-1,1'-binaphthalene,r-+-xylbinap
IUPAC Name	[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
InChI Key	MXGXXBYVDMVJAO-UHFFFAOYSA-N
Molecular Formula	C52H48P2

9,737

2,3,4,5-Tetrachlorobenzoic Acid 97.0+%, TCI America™

CAS: 50-74-8 Molecular Formula: C7H2Cl4O2 Molecular Weight (g/mol): 259.89 MDL Number: MFCD00061126 InChI Key: FUXMTEKFGUWSNC-UHFFFAOYSA-N PubChem CID: 5782 IUPAC Name: 2,3,4,5-tetrachlorobenzoic acid SMILES: OC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl

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Specifications

PubChem CID	5782
CAS	50-74-8
Molecular Weight (g/mol)	259.89
MDL Number	MFCD00061126
SMILES	OC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl
IUPAC Name	2,3,4,5-tetrachlorobenzoic acid
InChI Key	FUXMTEKFGUWSNC-UHFFFAOYSA-N
Molecular Formula	C7H2Cl4O2

9,738

4-Amino-3-fluorophenol 98.0+%, TCI America™

CAS: 399-95-1 Molecular Formula: C6H6FNO Molecular Weight (g/mol): 127.118 MDL Number: MFCD00077452 InChI Key: MNPLTKHJEAFOCA-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminophenol,2-fluoro-4-hydroxyaniline,phenol, 4-amino-3-fluoro,4-amino-3-fluoro-phenol,pubchem2832,3-fluoro-4-amino-phenol,4-amino-3-fluorophenol,acmc-209j9q,4-amine-3-fluorophenol,buttpark 33\04-79 PubChem CID: 2735919 IUPAC Name: 4-amino-3-fluorophenol SMILES: C1=CC(=C(C=C1O)F)N

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Specifications

PubChem CID	2735919
CAS	399-95-1
Molecular Weight (g/mol)	127.118
MDL Number	MFCD00077452
SMILES	C1=CC(=C(C=C1O)F)N
Synonym	3-fluoro-4-aminophenol,2-fluoro-4-hydroxyaniline,phenol, 4-amino-3-fluoro,4-amino-3-fluoro-phenol,pubchem2832,3-fluoro-4-amino-phenol,4-amino-3-fluorophenol,acmc-209j9q,4-amine-3-fluorophenol,buttpark 33\04-79
IUPAC Name	4-amino-3-fluorophenol
InChI Key	MNPLTKHJEAFOCA-UHFFFAOYSA-N
Molecular Formula	C6H6FNO

9,739

Methoxychlor 95.0+%, TCI America™

CAS: 72-43-5 Molecular Formula: C16H15Cl3O2 Molecular Weight (g/mol): 345.644 MDL Number: MFCD00000803 InChI Key: IAKOZHOLGAGEJT-UHFFFAOYSA-N Synonym: methoxychlor,p,p'-methoxychlor,dmdt,dimethoxy-ddt,methoxy-ddt,methoxcide,metox,maralate,marlate,moxie PubChem CID: 4115 ChEBI: CHEBI:6842 IUPAC Name: 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl

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Specifications

PubChem CID	4115
CAS	72-43-5
Molecular Weight (g/mol)	345.644
ChEBI	CHEBI:6842
MDL Number	MFCD00000803
SMILES	COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
Synonym	methoxychlor,p,p'-methoxychlor,dmdt,dimethoxy-ddt,methoxy-ddt,methoxcide,metox,maralate,marlate,moxie
IUPAC Name	1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
InChI Key	IAKOZHOLGAGEJT-UHFFFAOYSA-N
Molecular Formula	C16H15Cl3O2

9,740

4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid 95.0+%, TCI America™

CAS: 125662-60-4 Molecular Formula: C7H2F4O5S Molecular Weight (g/mol): 274.142 InChI Key: JNESNWCWZVATQY-UHFFFAOYSA-N PubChem CID: 19807654 IUPAC Name: 2,3,5,6-tetrafluoro-4-sulfobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O

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Specifications

PubChem CID	19807654
CAS	125662-60-4
Molecular Weight (g/mol)	274.142
SMILES	C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O
IUPAC Name	2,3,5,6-tetrafluoro-4-sulfobenzoic acid
InChI Key	JNESNWCWZVATQY-UHFFFAOYSA-N
Molecular Formula	C7H2F4O5S

9,741

Bromohydroquinone 90.0+%, TCI America™

CAS: 583-69-7 Molecular Formula: C6H5BrO2 Molecular Weight (g/mol): 189.008 MDL Number: MFCD00041747 InChI Key: REFDOIWRJDGBHY-UHFFFAOYSA-N Synonym: bromohydroquinone,2-bromohydroquinone,1,4-benzenediol, 2-bromo,2-bromoquinol,2-bromo-1,4-benzenediol,hydroquinone, bromo,bromoquinol,4-hydroxy bromophenol,2-bromo-benzene-1,4-diol PubChem CID: 68502 IUPAC Name: 2-bromobenzene-1,4-diol SMILES: C1=CC(=C(C=C1O)Br)O

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Specifications

PubChem CID	68502
CAS	583-69-7
Molecular Weight (g/mol)	189.008
MDL Number	MFCD00041747
SMILES	C1=CC(=C(C=C1O)Br)O
Synonym	bromohydroquinone,2-bromohydroquinone,1,4-benzenediol, 2-bromo,2-bromoquinol,2-bromo-1,4-benzenediol,hydroquinone, bromo,bromoquinol,4-hydroxy bromophenol,2-bromo-benzene-1,4-diol
IUPAC Name	2-bromobenzene-1,4-diol
InChI Key	REFDOIWRJDGBHY-UHFFFAOYSA-N
Molecular Formula	C6H5BrO2

9,742

3,5-Diaminobenzoic Acid Dihydrochloride 98.0+%, TCI America™

CAS: 618-56-4 Molecular Formula: C7H10Cl2N2O2 Molecular Weight (g/mol): 225.069 MDL Number: MFCD00012983 InChI Key: IGPLRBRBTUNCRT-UHFFFAOYSA-N Synonym: 3,5-diaminobenzoic acid dihydrochloride,benzoic acid, 3,5-diamino-dihydrochloride,benzoic acid, 3,5-diamino-, hydrochloride 1:2,acmc-1b2s7,3,5-diaminobenzoicaciddihydrochloride,3,5-diamino benzoic acid dihydrochloride PubChem CID: 15556789 IUPAC Name: 3,5-diaminobenzoic acid;dihydrochloride SMILES: C1=C(C=C(C=C1N)N)C(=O)O.Cl.Cl

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Specifications

PubChem CID	15556789
CAS	618-56-4
Molecular Weight (g/mol)	225.069
MDL Number	MFCD00012983
SMILES	C1=C(C=C(C=C1N)N)C(=O)O.Cl.Cl
Synonym	3,5-diaminobenzoic acid dihydrochloride,benzoic acid, 3,5-diamino-dihydrochloride,benzoic acid, 3,5-diamino-, hydrochloride 1:2,acmc-1b2s7,3,5-diaminobenzoicaciddihydrochloride,3,5-diamino benzoic acid dihydrochloride
IUPAC Name	3,5-diaminobenzoic acid;dihydrochloride
InChI Key	IGPLRBRBTUNCRT-UHFFFAOYSA-N
Molecular Formula	C7H10Cl2N2O2

9,743

(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol 98.0+%, TCI America™

CAS: 112068-01-6 Molecular Formula: C17H19NO Molecular Weight (g/mol): 253.345 MDL Number: MFCD00075506 InChI Key: OGCGXUGBDJGFFY-INIZCTEOSA-N Synonym: s---alpha,alpha-diphenyl-2-pyrrolidinemethanol,s-diphenyl pyrrolidin-2-yl methanol,s---2-diphenylhydroxymethyl pyrrolidine,alpha,alpha-diphenyl-l-prolinol,diphenyl-l-pyrrolidin-2-yl-methanol,diphenyl-2s-pyrrolidin-2-yl methanol,s-alpha,alpha-diphenyl-2-pyrrolidinemethanol,s---diphenylpyrrolidinemethanol,s---alpha,alpha-diphenyl-2-pyrrolidine methanol,diphenyl 2s-pyrrolidin-2-ylmethanol PubChem CID: 2724899 IUPAC Name: diphenyl-[(2S)-pyrrolidin-2-yl]methanol SMILES: C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

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Specifications

PubChem CID	2724899
CAS	112068-01-6
Molecular Weight (g/mol)	253.345
MDL Number	MFCD00075506
SMILES	C1CC(NC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Synonym	s---alpha,alpha-diphenyl-2-pyrrolidinemethanol,s-diphenyl pyrrolidin-2-yl methanol,s---2-diphenylhydroxymethyl pyrrolidine,alpha,alpha-diphenyl-l-prolinol,diphenyl-l-pyrrolidin-2-yl-methanol,diphenyl-2s-pyrrolidin-2-yl methanol,s-alpha,alpha-diphenyl-2-pyrrolidinemethanol,s---diphenylpyrrolidinemethanol,s---alpha,alpha-diphenyl-2-pyrrolidine methanol,diphenyl 2s-pyrrolidin-2-ylmethanol
IUPAC Name	diphenyl-[(2S)-pyrrolidin-2-yl]methanol
InChI Key	OGCGXUGBDJGFFY-INIZCTEOSA-N
Molecular Formula	C17H19NO

9,744

(S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-piperidinecarboxylic Acid 98.0+%, TCI America™

CAS: 86069-86-5 Molecular Formula: C21H21NO4 Molecular Weight (g/mol): 351.402 MDL Number: MFCD00235898 InChI Key: CKLAZLINARHOTG-IBGZPJMESA-N Synonym: fmoc-l-homoproline,fmoc-l-pipecolic acid,fmoc-pip-oh,fmoc-hopro-oh,l-n-fmoc-pipecolic acid,fmoc-l-pip-oh,fmoc-pip,fmoc-l-piperidine-2-carboxylic acid,fmoc-s---piperidine-2-carboxylic acid,l-1-n-fmoc-pipecolinic acid PubChem CID: 983042 IUPAC Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid SMILES: C1CCN(C(C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

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Specifications

PubChem CID	983042
CAS	86069-86-5
Molecular Weight (g/mol)	351.402
MDL Number	MFCD00235898
SMILES	C1CCN(C(C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Synonym	fmoc-l-homoproline,fmoc-l-pipecolic acid,fmoc-pip-oh,fmoc-hopro-oh,l-n-fmoc-pipecolic acid,fmoc-l-pip-oh,fmoc-pip,fmoc-l-piperidine-2-carboxylic acid,fmoc-s---piperidine-2-carboxylic acid,l-1-n-fmoc-pipecolinic acid
IUPAC Name	(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid
InChI Key	CKLAZLINARHOTG-IBGZPJMESA-N
Molecular Formula	C21H21NO4

9,745

2-Bromobenzyl Phenyl Sulfone 98.0+%, TCI America™

CAS: 92022-50-9 Molecular Formula: C13H11BrO2S Molecular Weight (g/mol): 311.193 MDL Number: MFCD06797069 InChI Key: CQNGEPLMWCLSBR-UHFFFAOYSA-N Synonym: 1-(Benzenesulfonylmethyl)-2-bromobenzene, 1-Bromo-2-(phenylsulfonylmethyl)benzene PubChem CID: 11335905 IUPAC Name: 1-(benzenesulfonylmethyl)-2-bromobenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2Br

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Specifications

PubChem CID	11335905
CAS	92022-50-9
Molecular Weight (g/mol)	311.193
MDL Number	MFCD06797069
SMILES	C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2Br
Synonym	1-(Benzenesulfonylmethyl)-2-bromobenzene, 1-Bromo-2-(phenylsulfonylmethyl)benzene
IUPAC Name	1-(benzenesulfonylmethyl)-2-bromobenzene
InChI Key	CQNGEPLMWCLSBR-UHFFFAOYSA-N
Molecular Formula	C13H11BrO2S

9,746

1-Bromo-4-nonylbenzene 95.0+%, TCI America™

CAS: 51554-94-0 Molecular Formula: C15H23Br Molecular Weight (g/mol): 283.25 MDL Number: MFCD00061116 InChI Key: LVCWOFRWEVUMNY-UHFFFAOYSA-N Synonym: 1-bromo-4-n-nonylbenzene,bromononylbenzene,4-nonylbromobenzene,4-n-nonylbromobenzene,4-nonylphenyl bromide,acmc-209kuh,4-bromo-1-nonylbenzene,1-bromo-4-nonylbenzene PubChem CID: 12603095 IUPAC Name: 1-bromo-4-nonylbenzene SMILES: CCCCCCCCCC1=CC=C(Br)C=C1

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Specifications

PubChem CID	12603095
CAS	51554-94-0
Molecular Weight (g/mol)	283.25
MDL Number	MFCD00061116
SMILES	CCCCCCCCCC1=CC=C(Br)C=C1
Synonym	1-bromo-4-n-nonylbenzene,bromononylbenzene,4-nonylbromobenzene,4-n-nonylbromobenzene,4-nonylphenyl bromide,acmc-209kuh,4-bromo-1-nonylbenzene,1-bromo-4-nonylbenzene
IUPAC Name	1-bromo-4-nonylbenzene
InChI Key	LVCWOFRWEVUMNY-UHFFFAOYSA-N
Molecular Formula	C15H23Br

9,747

4-Bromo-2,6-di-tert-butylphenol 98.0+%, TCI America™

CAS: 1139-52-2 Molecular Formula: C14H21BrO Molecular Weight (g/mol): 285.225 MDL Number: MFCD00051598 InChI Key: SSQQUEKFNSJLKX-UHFFFAOYSA-N Synonym: 4-bromo-2,6-di-tert-butylphenol,2,6-di-tert-butyl-4-bromophenol,4-bromo-2,6-di-t-butylphenol,phenol, 4-bromo-2,6-bis 1,1-dimethylethyl,2,6-bis tert-butyl-4-bromophenol,4-bromo-2,6-di tert-butyl phenol,4-bromo-2,6-di-tert-butyl phenol,4-bromo-2,6-bis 1,1-dimethylethyl phenol,phenol, 4-bromo-2,6-di-tert-butyl,acmc-1c5t6 PubChem CID: 70829 IUPAC Name: 4-bromo-2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Br

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Specifications

PubChem CID	70829
CAS	1139-52-2
Molecular Weight (g/mol)	285.225
MDL Number	MFCD00051598
SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Br
Synonym	4-bromo-2,6-di-tert-butylphenol,2,6-di-tert-butyl-4-bromophenol,4-bromo-2,6-di-t-butylphenol,phenol, 4-bromo-2,6-bis 1,1-dimethylethyl,2,6-bis tert-butyl-4-bromophenol,4-bromo-2,6-di tert-butyl phenol,4-bromo-2,6-di-tert-butyl phenol,4-bromo-2,6-bis 1,1-dimethylethyl phenol,phenol, 4-bromo-2,6-di-tert-butyl,acmc-1c5t6
IUPAC Name	4-bromo-2,6-ditert-butylphenol
InChI Key	SSQQUEKFNSJLKX-UHFFFAOYSA-N
Molecular Formula	C14H21BrO

9,748

1,3-Bis[4-(trifluoromethyl)phenyl]urea 98.0+%, TCI America™

CAS: 1960-88-9 Molecular Formula: C15H10F6N2O Molecular Weight (g/mol): 348.248 MDL Number: MFCD01908917 InChI Key: PEXQIAHZLFTVJU-UHFFFAOYSA-N Synonym: 1,3-bis 4-trifluoromethyl phenyl urea,maybridge4_001077,1,3-bis 4-trifluoromethylphenyl urea,n,n'-bis-4-trifluoromethylphenyl-urea,urea, n,n'-bis 4-trifluoromethyl phenyl PubChem CID: 472928 IUPAC Name: 1,3-bis[4-(trifluoromethyl)phenyl]urea SMILES: C1=CC(=CC=C1C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C(F)(F)F

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Specifications

PubChem CID	472928
CAS	1960-88-9
Molecular Weight (g/mol)	348.248
MDL Number	MFCD01908917
SMILES	C1=CC(=CC=C1C(F)(F)F)NC(=O)NC2=CC=C(C=C2)C(F)(F)F
Synonym	1,3-bis 4-trifluoromethyl phenyl urea,maybridge4_001077,1,3-bis 4-trifluoromethylphenyl urea,n,n'-bis-4-trifluoromethylphenyl-urea,urea, n,n'-bis 4-trifluoromethyl phenyl
IUPAC Name	1,3-bis[4-(trifluoromethyl)phenyl]urea
InChI Key	PEXQIAHZLFTVJU-UHFFFAOYSA-N
Molecular Formula	C15H10F6N2O

9,749

1-Hexyloxy-4-nitrobenzene 98.0+%, TCI America™

CAS: 15440-98-9 Molecular Formula: C12H17NO3 Molecular Weight (g/mol): 223.272 MDL Number: MFCD00043610 InChI Key: VLMYJULPWGTTAV-UHFFFAOYSA-N Synonym: Hexyl 4-Nitrophenyl Ether, 4-Hexyloxynitrobenzene PubChem CID: 84912 IUPAC Name: 1-hexoxy-4-nitrobenzene SMILES: CCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

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Specifications

PubChem CID	84912
CAS	15440-98-9
Molecular Weight (g/mol)	223.272
MDL Number	MFCD00043610
SMILES	CCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	Hexyl 4-Nitrophenyl Ether, 4-Hexyloxynitrobenzene
IUPAC Name	1-hexoxy-4-nitrobenzene
InChI Key	VLMYJULPWGTTAV-UHFFFAOYSA-N
Molecular Formula	C12H17NO3

9,750

2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane 98.0+%, TCI America™

CAS: 5613-46-7 Molecular Formula: C19H24O2 Molecular Weight (g/mol): 284.399 MDL Number: MFCD00068238 InChI Key: ODJUOZPKKHIEOZ-UHFFFAOYSA-N Synonym: 4,4′C-Isopropylidenebis(2,6-dimethylphenol), Tetramethylbisphenol A PubChem CID: 79717 IUPAC Name: 4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol SMILES: CC1=CC(=CC(=C1O)C)C(C)(C)C2=CC(=C(C(=C2)C)O)C

Pricing & Availability
Specifications

PubChem CID	79717
CAS	5613-46-7
Molecular Weight (g/mol)	284.399
MDL Number	MFCD00068238
SMILES	CC1=CC(=CC(=C1O)C)C(C)(C)C2=CC(=C(C(=C2)C)O)C
Synonym	4,4′C-Isopropylidenebis(2,6-dimethylphenol), Tetramethylbisphenol A
IUPAC Name	4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
InChI Key	ODJUOZPKKHIEOZ-UHFFFAOYSA-N
Molecular Formula	C19H24O2

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