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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 (88,065)
Phenols (17,839)
Naphthalenes (5,668)
Phenol esters (1,994)
Fluorenes (1,268)
Unsubstituted Phenols (1,237)
Thiophenols (635)
Anthracenes (494)
Indanes (401)
Phenanthrenes and derivatives (361)
Tetralins (336)
Triphenyl compounds (276)
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Dibenzocycloheptenes (61)
Naphthacenes (37)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (16)
Pentacenequinones (16)
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1-hydroxylamino 2-unsubstituted benzenoids (6)

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9,976 – 9,990 of 105,714 results
9,976

Fullerene C60 (pure) 99.5+%, TCI America™

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C60-Ih)[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD00151408
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C60-Ih)[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
9,977

5-Chloro-2-fluorobenzylamine 97.0+%, TCI America™

CAS: 261723-26-6 Molecular Formula: C7H7ClFN Molecular Weight (g/mol): 159.59 MDL Number: MFCD01631440 InChI Key: BFLBLJKULFDOTN-UHFFFAOYSA-N Synonym: 5-chloro-2-fluorobenzylamine,5-chloro-2-fluorophenyl methanamine,2-fluoro-5-chlorobenzylamine,2-fluoro-5-chlorobenzyl amine,1-5-chloro-2-fluorophenyl methanamine,5-chloro-2-fluoro-benzylamine,5-chloro-2-fluorophenyl methylamine,5-chloro-2-fluorobenzyl amine,pubchem4378 PubChem CID: 2773616 IUPAC Name: 1-(5-chloro-2-fluorophenyl)methanamine SMILES: NCC1=CC(Cl)=CC=C1F

PubChem CID 2773616
CAS 261723-26-6
Molecular Weight (g/mol) 159.59
MDL Number MFCD01631440
SMILES NCC1=CC(Cl)=CC=C1F
Synonym 5-chloro-2-fluorobenzylamine,5-chloro-2-fluorophenyl methanamine,2-fluoro-5-chlorobenzylamine,2-fluoro-5-chlorobenzyl amine,1-5-chloro-2-fluorophenyl methanamine,5-chloro-2-fluoro-benzylamine,5-chloro-2-fluorophenyl methylamine,5-chloro-2-fluorobenzyl amine,pubchem4378
IUPAC Name 1-(5-chloro-2-fluorophenyl)methanamine
InChI Key BFLBLJKULFDOTN-UHFFFAOYSA-N
Molecular Formula C7H7ClFN
9,978

3-Chloro-4-methylaniline 97.0+%, TCI America™

CAS: 95-74-9 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00007773 InChI Key: RQKFYFNZSHWXAW-UHFFFAOYSA-N Synonym: 3-chloro-p-toluidine,2-chloro-4-aminotoluene,4-amino-2-chlorotoluene,benzenamine, 3-chloro-4-methyl,3-chloro-4-methylbenzenamine,3-chloro-4-methylphenylamine,1-amino-3-chloro-4-methylbenzene,4-methyl-3-chloroaniline,p-toluidine, 3-chloro,gull toxicant PubChem CID: 7255 ChEBI: CHEBI:37824 IUPAC Name: 3-chloro-4-methylaniline SMILES: CC1=C(C=C(C=C1)N)Cl

PubChem CID 7255
CAS 95-74-9
Molecular Weight (g/mol) 141.598
ChEBI CHEBI:37824
MDL Number MFCD00007773
SMILES CC1=C(C=C(C=C1)N)Cl
Synonym 3-chloro-p-toluidine,2-chloro-4-aminotoluene,4-amino-2-chlorotoluene,benzenamine, 3-chloro-4-methyl,3-chloro-4-methylbenzenamine,3-chloro-4-methylphenylamine,1-amino-3-chloro-4-methylbenzene,4-methyl-3-chloroaniline,p-toluidine, 3-chloro,gull toxicant
IUPAC Name 3-chloro-4-methylaniline
InChI Key RQKFYFNZSHWXAW-UHFFFAOYSA-N
Molecular Formula C7H8ClN
9,979

4-(Difluoromethoxy)nitrobenzene, TCI America™

CAS: 1544-86-1 Molecular Formula: C7H5F2NO3 Molecular Weight (g/mol): 189.118 MDL Number: MFCD00085009 InChI Key: SVGGBARCOQPYMV-UHFFFAOYSA-N Synonym: 4-difluoromethoxy nitrobenzene,1-difluoromethoxy-4-nitrobenzene,1-difluoromethoxy-4-nitro-benzene,4-difluoromethoxy-1-nitrobenzene,acmc-209dar,4-difluoromethoxynitrobenzene,svggbarcoqpymv-uhfffaoysa,4-nitro-alpha,alpha-difluoroanisole PubChem CID: 2737014 IUPAC Name: 1-(difluoromethoxy)-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(F)F

PubChem CID 2737014
CAS 1544-86-1
Molecular Weight (g/mol) 189.118
MDL Number MFCD00085009
SMILES C1=CC(=CC=C1[N+](=O)[O-])OC(F)F
Synonym 4-difluoromethoxy nitrobenzene,1-difluoromethoxy-4-nitrobenzene,1-difluoromethoxy-4-nitro-benzene,4-difluoromethoxy-1-nitrobenzene,acmc-209dar,4-difluoromethoxynitrobenzene,svggbarcoqpymv-uhfffaoysa,4-nitro-alpha,alpha-difluoroanisole
IUPAC Name 1-(difluoromethoxy)-4-nitrobenzene
InChI Key SVGGBARCOQPYMV-UHFFFAOYSA-N
Molecular Formula C7H5F2NO3
9,980

1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole 98.0+%, TCI America™

CAS: 15182-68-0 Molecular Formula: C9H10N4OS Molecular Weight (g/mol): 222.27 MDL Number: MFCD02252889 InChI Key: ASFXKDBHBVHSLT-UHFFFAOYSA-N Synonym: 1-(4-Ethoxyphenyl)-1H-tetrazole-5-thiol PubChem CID: 853337 IUPAC Name: 1-(4-ethoxyphenyl)-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione SMILES: CCOC1=CC=C(C=C1)N1NN=NC1=S

PubChem CID 853337
CAS 15182-68-0
Molecular Weight (g/mol) 222.27
MDL Number MFCD02252889
SMILES CCOC1=CC=C(C=C1)N1NN=NC1=S
Synonym 1-(4-Ethoxyphenyl)-1H-tetrazole-5-thiol
IUPAC Name 1-(4-ethoxyphenyl)-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
InChI Key ASFXKDBHBVHSLT-UHFFFAOYSA-N
Molecular Formula C9H10N4OS
9,981

1-Ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene 98.0+%, TCI America™

CAS: 174350-05-1 Molecular Formula: C17H24F2O Molecular Weight (g/mol): 282.375 MDL Number: MFCD11053400 InChI Key: BOAHGIPRRKDVQY-UHFFFAOYSA-N PubChem CID: 19103501 IUPAC Name: 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene SMILES: CCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC)F)F

PubChem CID 19103501
CAS 174350-05-1
Molecular Weight (g/mol) 282.375
MDL Number MFCD11053400
SMILES CCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC)F)F
IUPAC Name 1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
InChI Key BOAHGIPRRKDVQY-UHFFFAOYSA-N
Molecular Formula C17H24F2O
9,982

4-(Difluoromethoxy)benzoic Acid 98.0+%, TCI America™

CAS: 4837-20-1 Molecular Formula: C8H5F2O3 Molecular Weight (g/mol): 187.12 MDL Number: MFCD00221454 InChI Key: BSNNYLYELGBSBA-UHFFFAOYSA-M Synonym: 4-difluoromethoxy benzoic acid,4-difluoromethoxy-benzoic acid,benzoic acid, 4-difluoromethoxy,pubchem3933,acmc-20a19a,p-difluoromethoxy benzoic acid,alpha,alpha-difluoro-p-anisic acid,4-difluoromethyl oxy benzoic acid PubChem CID: 737360 IUPAC Name: 4-(difluoromethoxy)benzoate SMILES: [O-]C(=O)C1=CC=C(OC(F)F)C=C1

PubChem CID 737360
CAS 4837-20-1
Molecular Weight (g/mol) 187.12
MDL Number MFCD00221454
SMILES [O-]C(=O)C1=CC=C(OC(F)F)C=C1
Synonym 4-difluoromethoxy benzoic acid,4-difluoromethoxy-benzoic acid,benzoic acid, 4-difluoromethoxy,pubchem3933,acmc-20a19a,p-difluoromethoxy benzoic acid,alpha,alpha-difluoro-p-anisic acid,4-difluoromethyl oxy benzoic acid
IUPAC Name 4-(difluoromethoxy)benzoate
InChI Key BSNNYLYELGBSBA-UHFFFAOYSA-M
Molecular Formula C8H5F2O3
9,983

(tert-Butoxycarbonylmethyl)triphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 59159-39-6 Molecular Formula: C24H26BrO2P Molecular Weight (g/mol): 457.35 MDL Number: MFCD00075527 InChI Key: ZGLFRTJDWWKIAK-UHFFFAOYSA-M Synonym: tert-butoxycarbonylmethyl triphenylphosphonium bromide,tert-butoxycarbonylmethyl triphenylphosphanium bromide,2-tert-butoxy-2-oxoethyl triphenylphosphonium bromide,phosphonium, 2-1,1-dimethylethoxy-2-oxoethyl triphenyl-, bromide,2-tert-butoxy-2-oxoethyl triphenylphosphanium bromide,acmc-20apek,ksc609k1l,carbo-t-butoxymethyl triphenylphosphonium bromide,tert-butoxy carbonyl methyl triphenyl phosphoniu PubChem CID: 2733853 IUPAC Name: [2-(tert-butoxy)-2-oxoethyl]triphenylphosphanium bromide SMILES: [Br-].CC(C)(C)OC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 2733853
CAS 59159-39-6
Molecular Weight (g/mol) 457.35
MDL Number MFCD00075527
SMILES [Br-].CC(C)(C)OC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym tert-butoxycarbonylmethyl triphenylphosphonium bromide,tert-butoxycarbonylmethyl triphenylphosphanium bromide,2-tert-butoxy-2-oxoethyl triphenylphosphonium bromide,phosphonium, 2-1,1-dimethylethoxy-2-oxoethyl triphenyl-, bromide,2-tert-butoxy-2-oxoethyl triphenylphosphanium bromide,acmc-20apek,ksc609k1l,carbo-t-butoxymethyl triphenylphosphonium bromide,tert-butoxy carbonyl methyl triphenyl phosphoniu
IUPAC Name [2-(tert-butoxy)-2-oxoethyl]triphenylphosphanium bromide
InChI Key ZGLFRTJDWWKIAK-UHFFFAOYSA-M
Molecular Formula C24H26BrO2P
9,984

5-Bromo-2-chlorobenzotrifluoride 98.0+%, TCI America™

CAS: 445-01-2 Molecular Formula: C7H3BrClF3 Molecular Weight (g/mol): 259.45 MDL Number: MFCD00000601 InChI Key: XGOCKBMEZPNDPJ-UHFFFAOYSA-N Synonym: 5-bromo-2-chlorobenzotrifluoride,4-bromo-1-chloro-2-trifluoromethyl benzene,2-chloro-5-bromobenzotrifluoride,5-bromo-2-chloro-benzenetrifluoride,5-bromo-2-chlorotrifluoride,3-bromo-6-chlorobenzotrifluoride,benzene, 4-bromo-1-chloro-2-trifluoromethyl,5-bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-5-bromo-trifluorotoluene,4-bromo-1-chloro-2-trifluoromethyl-benzene PubChem CID: 67959 IUPAC Name: 4-bromo-1-chloro-2-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(Br)=CC=C1Cl

PubChem CID 67959
CAS 445-01-2
Molecular Weight (g/mol) 259.45
MDL Number MFCD00000601
SMILES FC(F)(F)C1=CC(Br)=CC=C1Cl
Synonym 5-bromo-2-chlorobenzotrifluoride,4-bromo-1-chloro-2-trifluoromethyl benzene,2-chloro-5-bromobenzotrifluoride,5-bromo-2-chloro-benzenetrifluoride,5-bromo-2-chlorotrifluoride,3-bromo-6-chlorobenzotrifluoride,benzene, 4-bromo-1-chloro-2-trifluoromethyl,5-bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-5-bromo-trifluorotoluene,4-bromo-1-chloro-2-trifluoromethyl-benzene
IUPAC Name 4-bromo-1-chloro-2-(trifluoromethyl)benzene
InChI Key XGOCKBMEZPNDPJ-UHFFFAOYSA-N
Molecular Formula C7H3BrClF3
9,985

4-Acetoxybiphenyl 99.0+%, TCI America™

CAS: 148-86-7 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00014979 InChI Key: MISFQCBPASYYGV-UHFFFAOYSA-N Synonym: 4-acetoxybiphenyl,4-biphenylyl acetate,p-phenylphenyl acetate,4-biphenylol, acetate,1,1'-biphenyl-4-yl acetate,acetic acid 4-biphenyl ester,1,1'-biphenyl-4-ol,4-acetate,4-biphenyl acetate,p-phenylphenol acetate,4-phenylphenol acetate PubChem CID: 346066 IUPAC Name: [1,1'-biphenyl]-4-yl acetate SMILES: CC(=O)OC1=CC=C(C=C1)C1=CC=CC=C1

PubChem CID 346066
CAS 148-86-7
Molecular Weight (g/mol) 212.25
MDL Number MFCD00014979
SMILES CC(=O)OC1=CC=C(C=C1)C1=CC=CC=C1
Synonym 4-acetoxybiphenyl,4-biphenylyl acetate,p-phenylphenyl acetate,4-biphenylol, acetate,1,1'-biphenyl-4-yl acetate,acetic acid 4-biphenyl ester,1,1'-biphenyl-4-ol,4-acetate,4-biphenyl acetate,p-phenylphenol acetate,4-phenylphenol acetate
IUPAC Name [1,1'-biphenyl]-4-yl acetate
InChI Key MISFQCBPASYYGV-UHFFFAOYSA-N
Molecular Formula C14H12O2
9,986

3,4-Difluorobenzenesulfonamide 98.0+%, TCI America™

CAS: 108966-71-8 Molecular Formula: C6H5F2NO2S Molecular Weight (g/mol): 193.17 MDL Number: MFCD00728800 InChI Key: VFVVRYNJTGHAIE-UHFFFAOYSA-N PubChem CID: 822865 IUPAC Name: 3,4-difluorobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(F)C(F)=C1

PubChem CID 822865
CAS 108966-71-8
Molecular Weight (g/mol) 193.17
MDL Number MFCD00728800
SMILES NS(=O)(=O)C1=CC=C(F)C(F)=C1
IUPAC Name 3,4-difluorobenzene-1-sulfonamide
InChI Key VFVVRYNJTGHAIE-UHFFFAOYSA-N
Molecular Formula C6H5F2NO2S
9,987

4'-Nitro-3'-(trifluoromethyl)acetanilide 98.0+%, TCI America™

CAS: 393-12-4 Molecular Formula: C9H7F3N2O3 Molecular Weight (g/mol): 248.161 MDL Number: MFCD00017994 InChI Key: MIHJCLQINRFOLX-UHFFFAOYSA-N PubChem CID: 246769 IUPAC Name: N-[4-nitro-3-(trifluoromethyl)phenyl]acetamide SMILES: CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

PubChem CID 246769
CAS 393-12-4
Molecular Weight (g/mol) 248.161
MDL Number MFCD00017994
SMILES CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
IUPAC Name N-[4-nitro-3-(trifluoromethyl)phenyl]acetamide
InChI Key MIHJCLQINRFOLX-UHFFFAOYSA-N
Molecular Formula C9H7F3N2O3
9,988

4-Bromo-1,1,3,3,5,5,7,7-octaethyl-1,2,3,5,6,7-hexahydro-s-indacene 95.0+%, TCI America™

CAS: 960079-28-1 Molecular Formula: C28H45Br Molecular Weight (g/mol): 461.572 InChI Key: SNWPVKQFJCNSIU-UHFFFAOYSA-N Synonym: Eind-Br PubChem CID: 91972074 IUPAC Name: 4-bromo-1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacene SMILES: CCC1(CC(C2=C(C3=C(C=C21)C(CC3(CC)CC)(CC)CC)Br)(CC)CC)CC

PubChem CID 91972074
CAS 960079-28-1
Molecular Weight (g/mol) 461.572
SMILES CCC1(CC(C2=C(C3=C(C=C21)C(CC3(CC)CC)(CC)CC)Br)(CC)CC)CC
Synonym Eind-Br
IUPAC Name 4-bromo-1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacene
InChI Key SNWPVKQFJCNSIU-UHFFFAOYSA-N
Molecular Formula C28H45Br
9,989

Benzenesulfohydroxamic Acid 98.0+%, TCI America™

CAS: 599-71-3 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00025013 InChI Key: BRMDATNYMUMZLN-UHFFFAOYSA-N Synonym: piloty's acid,benzenesulfohydroxamic acid,benzenesulfonamide, n-hydroxy,benzenesulphonohydroxamic acid,benzsulfohydroxamic acid,hydroxamic acid, benzsulfo,n-phenylsulfonyl hydroxylamine,hydroxylamine, n-phenylsulfonyl,unii-c64l4umh19,n-hydroxy-benzenesulfonamide PubChem CID: 69033 IUPAC Name: N-hydroxybenzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)NO

PubChem CID 69033
CAS 599-71-3
Molecular Weight (g/mol) 173.186
MDL Number MFCD00025013
SMILES C1=CC=C(C=C1)S(=O)(=O)NO
Synonym piloty's acid,benzenesulfohydroxamic acid,benzenesulfonamide, n-hydroxy,benzenesulphonohydroxamic acid,benzsulfohydroxamic acid,hydroxamic acid, benzsulfo,n-phenylsulfonyl hydroxylamine,hydroxylamine, n-phenylsulfonyl,unii-c64l4umh19,n-hydroxy-benzenesulfonamide
IUPAC Name N-hydroxybenzenesulfonamide
InChI Key BRMDATNYMUMZLN-UHFFFAOYSA-N
Molecular Formula C6H7NO3S
9,990

2,3,5-Trifluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 247564-73-4 Molecular Formula: C6H4BF3O2 Molecular Weight (g/mol): 175.901 MDL Number: MFCD01863166 InChI Key: IRMUMGKQAXLGHK-UHFFFAOYSA-N Synonym: 2,3,5-Trifluorobenzeneboronic Acid PubChem CID: 4078843 IUPAC Name: (2,3,5-trifluorophenyl)boronic acid SMILES: B(C1=CC(=CC(=C1F)F)F)(O)O

PubChem CID 4078843
CAS 247564-73-4
Molecular Weight (g/mol) 175.901
MDL Number MFCD01863166
SMILES B(C1=CC(=CC(=C1F)F)F)(O)O
Synonym 2,3,5-Trifluorobenzeneboronic Acid
IUPAC Name (2,3,5-trifluorophenyl)boronic acid
InChI Key IRMUMGKQAXLGHK-UHFFFAOYSA-N
Molecular Formula C6H4BF3O2