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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 (64,928)
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Naphthalenes (4,958)
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Unsubstituted Phenols (1,173)
Thiophenols (610)
Phenol esters (426)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
Triphenyl compounds (290)
Indanes (288)
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Ellagic acids and derivatives (33)
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1-hydroxylamino 2-unsubstituted benzenoids (5)

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9,046 – 9,060 of 73,813 results
9,046

Nimesulide 98.0+%, TCI America™
SDP

CAS: 51803-78-2 Molecular Formula: C13H12N2O5S Molecular Weight (g/mol): 308.308 MDL Number: MFCD00079470 InChI Key: HYWYRSMBCFDLJT-UHFFFAOYSA-N Synonym: nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish PubChem CID: 4495 ChEBI: CHEBI:44445 IUPAC Name: N-(4-nitro-2-phenoxyphenyl)methanesulfonamide SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2

PubChem CID 4495
CAS 51803-78-2
Molecular Weight (g/mol) 308.308
ChEBI CHEBI:44445
MDL Number MFCD00079470
SMILES CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
Synonym nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish
IUPAC Name N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
InChI Key HYWYRSMBCFDLJT-UHFFFAOYSA-N
Molecular Formula C13H12N2O5S
9,047

2-Chloro-5-fluorobenzyl Bromide 96.0+%, TCI America™
SDP

CAS: 81778-09-8 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.469 MDL Number: MFCD01631419 InChI Key: AUVLFQDKJFSFIX-UHFFFAOYSA-N Synonym: 2-chloro-5-fluorobenzyl bromide,2-bromomethyl-1-chloro-4-fluorobenzene,2-chloro-5-fluorobenzylbromide,1-bromomethyl-2-chloro-5-fluorobenzene,pubchem7498,acmc-1blqd,2-bromomethyl-1-chloro-4-fluoro-benzene,2-chloro5-fluorobenzyl bromide,2-chloro-5-fluoro-benzylbromide,2-chloro-5-fluoro-benzyl bromide PubChem CID: 2773623 IUPAC Name: 2-(bromomethyl)-1-chloro-4-fluorobenzene SMILES: C1=CC(=C(C=C1F)CBr)Cl

PubChem CID 2773623
CAS 81778-09-8
Molecular Weight (g/mol) 223.469
MDL Number MFCD01631419
SMILES C1=CC(=C(C=C1F)CBr)Cl
Synonym 2-chloro-5-fluorobenzyl bromide,2-bromomethyl-1-chloro-4-fluorobenzene,2-chloro-5-fluorobenzylbromide,1-bromomethyl-2-chloro-5-fluorobenzene,pubchem7498,acmc-1blqd,2-bromomethyl-1-chloro-4-fluoro-benzene,2-chloro5-fluorobenzyl bromide,2-chloro-5-fluoro-benzylbromide,2-chloro-5-fluoro-benzyl bromide
IUPAC Name 2-(bromomethyl)-1-chloro-4-fluorobenzene
InChI Key AUVLFQDKJFSFIX-UHFFFAOYSA-N
Molecular Formula C7H5BrClF
9,048

(R,R)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide 98.0+%, TCI America™
SDP

CAS: 144222-34-4 Molecular Formula: C21H23N2O2S Molecular Weight (g/mol): 367.49 MDL Number: MFCD02093428 InChI Key: UOPFIWYXBIHPIP-NHCUHLMSSA-O Synonym: 1r,2r---n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r---n-p-tosyl-1,2-diphenylethylenediamine,r,r-tsdpen,r,r-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r-n-p-tosyl-1,2-diphenylethylenediamine,n-1r,2r-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,r,r-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide,1r,2r---n-p-tosyl-1,2-diphenylethylene diamine,1r, 2r---n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,benzenesulfonamide, n-1r,2r-2-amino-1,2-diphenylethyl-4-methyl PubChem CID: 2734565 IUPAC Name: N-[(1R,2R)-2-azaniumyl-1,2-diphenylethyl]-4-methylbenzene-1-sulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 2734565
CAS 144222-34-4
Molecular Weight (g/mol) 367.49
MDL Number MFCD02093428
SMILES CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1r,2r---n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r---n-p-tosyl-1,2-diphenylethylenediamine,r,r-tsdpen,r,r-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r-n-p-tosyl-1,2-diphenylethylenediamine,n-1r,2r-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,r,r-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide,1r,2r---n-p-tosyl-1,2-diphenylethylene diamine,1r, 2r---n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,benzenesulfonamide, n-1r,2r-2-amino-1,2-diphenylethyl-4-methyl
IUPAC Name N-[(1R,2R)-2-azaniumyl-1,2-diphenylethyl]-4-methylbenzene-1-sulfonamide
InChI Key UOPFIWYXBIHPIP-NHCUHLMSSA-O
Molecular Formula C21H23N2O2S
9,049

2-Ethylphenyl Acetate 97.0+%, TCI America™
SDP

CAS: 3056-59-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD02093429 InChI Key: VERVERDPMMBDSS-UHFFFAOYSA-N Synonym: Acetic Acid 2-Ethylphenyl Ester PubChem CID: 9898919 IUPAC Name: (2-ethylphenyl) acetate SMILES: CCC1=CC=CC=C1OC(=O)C

PubChem CID 9898919
CAS 3056-59-5
Molecular Weight (g/mol) 164.204
MDL Number MFCD02093429
SMILES CCC1=CC=CC=C1OC(=O)C
Synonym Acetic Acid 2-Ethylphenyl Ester
IUPAC Name (2-ethylphenyl) acetate
InChI Key VERVERDPMMBDSS-UHFFFAOYSA-N
Molecular Formula C10H12O2
9,050

1-(4-Chlorobenzhydryl)piperazine 98.0+%, TCI America™
SDP

CAS: 303-26-4 Molecular Formula: C17H19ClN2 Molecular Weight (g/mol): 286.803 MDL Number: MFCD00005965 InChI Key: UZKBSZSTDQSMDR-UHFFFAOYSA-N Synonym: 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine PubChem CID: 9340 IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

PubChem CID 9340
CAS 303-26-4
Molecular Weight (g/mol) 286.803
MDL Number MFCD00005965
SMILES C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Synonym 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine
IUPAC Name 1-[(4-chlorophenyl)-phenylmethyl]piperazine
InChI Key UZKBSZSTDQSMDR-UHFFFAOYSA-N
Molecular Formula C17H19ClN2
9,051

2,4,5-Trimethoxybenzoic Acid 98.0+%, TCI America™
SDP

CAS: 490-64-2 Molecular Formula: C10H11O5 Molecular Weight (g/mol): 211.19 MDL Number: MFCD00002435 InChI Key: KVZUCOGWKYOPID-UHFFFAOYSA-M Synonym: asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid PubChem CID: 10276 IUPAC Name: 2,4,5-trimethoxybenzoate SMILES: COC1=CC(OC)=C(C=C1OC)C([O-])=O

PubChem CID 10276
CAS 490-64-2
Molecular Weight (g/mol) 211.19
MDL Number MFCD00002435
SMILES COC1=CC(OC)=C(C=C1OC)C([O-])=O
Synonym asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid
IUPAC Name 2,4,5-trimethoxybenzoate
InChI Key KVZUCOGWKYOPID-UHFFFAOYSA-M
Molecular Formula C10H11O5
9,052

Cumylamine 98.0+%, TCI America™
SDP

CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1

PubChem CID 68509
CAS 585-32-0
Molecular Weight (g/mol) 135.21
MDL Number MFCD00134680
SMILES CC(C)(N)C1=CC=CC=C1
Synonym cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine
IUPAC Name 2-phenylpropan-2-amine
InChI Key KDFDOINBXBEOLZ-UHFFFAOYSA-N
Molecular Formula C9H13N
9,053

1,2-Bis(4-methylphenyl)-1,2-diphenyl-1,2-ethanediol 96.0+%, TCI America™
SDP

CAS: 808-12-8 Molecular Formula: C28H26O2 Molecular Weight (g/mol): 394.514 MDL Number: MFCD00026012 InChI Key: YOCSNHRJFCUGEU-UHFFFAOYSA-N Synonym: 1,2-Diphenyl-1,2-di(p-tolyl)-1,2-ethanediol PubChem CID: 4612495 IUPAC Name: 1,2-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diol SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=C(C=C4)C)O)O

PubChem CID 4612495
CAS 808-12-8
Molecular Weight (g/mol) 394.514
MDL Number MFCD00026012
SMILES CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=C(C=C4)C)O)O
Synonym 1,2-Diphenyl-1,2-di(p-tolyl)-1,2-ethanediol
IUPAC Name 1,2-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diol
InChI Key YOCSNHRJFCUGEU-UHFFFAOYSA-N
Molecular Formula C28H26O2
9,054

4-Propylbenzoic Acid 99.0+%, TCI America™
SDP

CAS: 2438-05-3 Molecular Formula: C10H11O2 Molecular Weight (g/mol): 163.20 MDL Number: MFCD00013996 InChI Key: ATZHGRNFEFVDDJ-UHFFFAOYSA-M Synonym: 4-n-propylbenzoic acid,benzoic acid, 4-propyl,4-propyl-benzoic acid,p-n-propyl benzoic acid,p-propylbenzoic acid,unii-3p1v85e45o,4-propylbenzoicacid,p-propyl benzoic acid,4-propylbenzolic acid,pubchem1348 PubChem CID: 137601 IUPAC Name: 4-propylbenzoic acid SMILES: CCCC1=CC=C(C=C1)C(=O)O

PubChem CID 137601
CAS 2438-05-3
Molecular Weight (g/mol) 163.20
MDL Number MFCD00013996
SMILES CCCC1=CC=C(C=C1)C(=O)O
Synonym 4-n-propylbenzoic acid,benzoic acid, 4-propyl,4-propyl-benzoic acid,p-n-propyl benzoic acid,p-propylbenzoic acid,unii-3p1v85e45o,4-propylbenzoicacid,p-propyl benzoic acid,4-propylbenzolic acid,pubchem1348
IUPAC Name 4-propylbenzoic acid
InChI Key ATZHGRNFEFVDDJ-UHFFFAOYSA-M
Molecular Formula C10H11O2
9,055

2-Ethoxybenzoic Acid 98.0+%, TCI America™
SDP

CAS: 134-11-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002438 InChI Key: XDZMPRGFOOFSBL-UHFFFAOYSA-N Synonym: o-ethoxybenzoic acid,benzoic acid, 2-ethoxy,benzoic acid, o-ethoxy,o-ethylsalicylic acid,benzoic acid, ethoxy,2'-carboxyphenetole,2-ethoxy benzoic acid,2-ethoxy-benzoic acid,pubchem20122,ortho-ethoxybenzoic acid PubChem CID: 67252 IUPAC Name: 2-ethoxybenzoic acid SMILES: CCOC1=CC=CC=C1C(O)=O

PubChem CID 67252
CAS 134-11-2
Molecular Weight (g/mol) 166.18
MDL Number MFCD00002438
SMILES CCOC1=CC=CC=C1C(O)=O
Synonym o-ethoxybenzoic acid,benzoic acid, 2-ethoxy,benzoic acid, o-ethoxy,o-ethylsalicylic acid,benzoic acid, ethoxy,2'-carboxyphenetole,2-ethoxy benzoic acid,2-ethoxy-benzoic acid,pubchem20122,ortho-ethoxybenzoic acid
IUPAC Name 2-ethoxybenzoic acid
InChI Key XDZMPRGFOOFSBL-UHFFFAOYSA-N
Molecular Formula C9H10O3
9,056

p-Acetanisidide 98.0+%, TCI America™
SDP

CAS: 51-66-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00014963 InChI Key: XVAIDCNLVLTVFM-UHFFFAOYSA-N Synonym: n-4-methoxyphenyl acetamide,4'-methoxyacetanilide,p-methoxyacetanilide,p-acetanisidide,p-acetanisidine,methacetin,4-methoxyacetanilide,aceto-p-anisidide,n-acetyl-p-anisidine,acetamide, n-4-methoxyphenyl PubChem CID: 5827 IUPAC Name: N-(4-methoxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)OC

PubChem CID 5827
CAS 51-66-1
Molecular Weight (g/mol) 165.192
MDL Number MFCD00014963
SMILES CC(=O)NC1=CC=C(C=C1)OC
Synonym n-4-methoxyphenyl acetamide,4'-methoxyacetanilide,p-methoxyacetanilide,p-acetanisidide,p-acetanisidine,methacetin,4-methoxyacetanilide,aceto-p-anisidide,n-acetyl-p-anisidine,acetamide, n-4-methoxyphenyl
IUPAC Name N-(4-methoxyphenyl)acetamide
InChI Key XVAIDCNLVLTVFM-UHFFFAOYSA-N
Molecular Formula C9H11NO2
9,057

alpha-Chloro-p-xylene 98.0+%, TCI America™
SDP

CAS: 104-82-5 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000919 InChI Key: DMHZDOTYAVHSEH-UHFFFAOYSA-N Synonym: 4-methylbenzyl chloride,p-xylyl chloride,1-chloromethyl-4-methylbenzene,alpha-chloro-p-xylene,p-methylbenzyl chloride,benzene, 1-chloromethyl-4-methyl,p-chloromethyl toluene,4-chloromethyl toluene,p-tolylmethyl chloride,p-xylene, alpha-chloro PubChem CID: 7722 IUPAC Name: 1-(chloromethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CCl

PubChem CID 7722
CAS 104-82-5
Molecular Weight (g/mol) 140.61
MDL Number MFCD00000919
SMILES CC1=CC=C(C=C1)CCl
Synonym 4-methylbenzyl chloride,p-xylyl chloride,1-chloromethyl-4-methylbenzene,alpha-chloro-p-xylene,p-methylbenzyl chloride,benzene, 1-chloromethyl-4-methyl,p-chloromethyl toluene,4-chloromethyl toluene,p-tolylmethyl chloride,p-xylene, alpha-chloro
IUPAC Name 1-(chloromethyl)-4-methylbenzene
InChI Key DMHZDOTYAVHSEH-UHFFFAOYSA-N
Molecular Formula C8H9Cl
9,058

6-Acetyl-2-benzoxazolinone 98.0+%, TCI America™
SDP

CAS: 54903-09-2 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD01664312 InChI Key: QXBNAXVXLAHDTE-UHFFFAOYSA-N Synonym: 6-acetyl-2 3h-benzoxazolone,2 3h-benzoxazolone, 6-acetyl,jpb 2,6-acetyl-2-benzoxazolinone,6-acetylbenzo d oxazol-2 3h-one,6-acetyl-2,3-dihydro-1,3-benzoxazol-2-one,acetyl-6 benzoxazolinone french,6-acetyl-3h-benzooxazol-2-one,6-acetyl-1,3-benzoxazol-2 3h-one,6-acetyl-2-oxo-3-hydrobenzoxazole PubChem CID: 689054 IUPAC Name: 6-acetyl-3H-1,3-benzoxazol-2-one SMILES: CC(=O)C1=CC2=C(C=C1)NC(=O)O2

PubChem CID 689054
CAS 54903-09-2
Molecular Weight (g/mol) 177.159
MDL Number MFCD01664312
SMILES CC(=O)C1=CC2=C(C=C1)NC(=O)O2
Synonym 6-acetyl-2 3h-benzoxazolone,2 3h-benzoxazolone, 6-acetyl,jpb 2,6-acetyl-2-benzoxazolinone,6-acetylbenzo d oxazol-2 3h-one,6-acetyl-2,3-dihydro-1,3-benzoxazol-2-one,acetyl-6 benzoxazolinone french,6-acetyl-3h-benzooxazol-2-one,6-acetyl-1,3-benzoxazol-2 3h-one,6-acetyl-2-oxo-3-hydrobenzoxazole
IUPAC Name 6-acetyl-3H-1,3-benzoxazol-2-one
InChI Key QXBNAXVXLAHDTE-UHFFFAOYSA-N
Molecular Formula C9H7NO3
9,059

3-(tert-Butyldimethylsilyloxy)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
SDP

PubChem CID 3463029
CAS 261621-12-9
MDL Number MFCD03701505
Color White-Yellow
Physical Form Crystalline Powder
TSCA No
InChI Key RDQWADDNQONTLB-UHFFFAOYSA-N
Molecular Formula C12H21BO3Si
Formula Weight 252.19
Melting Point 91°C
9,060

3,4-Dichlorophenol 98.0+%, TCI America™
SDP

CAS: 95-77-2 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002258 InChI Key: WDNBURPWRNALGP-UHFFFAOYSA-N Synonym: 4,5-dichlorophenol,phenol, 3,4-dichloro,3,3-dichloro-hydroxybenzene,unii-070ftm6dvf,ccris 5904,070ftm6dvf,3,4-dcp,3,4-dichlorphenol,3,4dichlorophenol,3,4 dichlorophenol PubChem CID: 7258 ChEBI: CHEBI:34323 IUPAC Name: 3,4-dichlorophenol SMILES: OC1=CC=C(Cl)C(Cl)=C1

PubChem CID 7258
CAS 95-77-2
Molecular Weight (g/mol) 163.00
ChEBI CHEBI:34323
MDL Number MFCD00002258
SMILES OC1=CC=C(Cl)C(Cl)=C1
Synonym 4,5-dichlorophenol,phenol, 3,4-dichloro,3,3-dichloro-hydroxybenzene,unii-070ftm6dvf,ccris 5904,070ftm6dvf,3,4-dcp,3,4-dichlorphenol,3,4dichlorophenol,3,4 dichlorophenol
IUPAC Name 3,4-dichlorophenol
InChI Key WDNBURPWRNALGP-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O