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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 (67,353)
Phenols (13,195)
Naphthalenes (5,047)
Fluorenes (1,236)
Unsubstituted Phenols (1,167)
Thiophenols (617)
Phenol esters (557)
Anthracenes (412)
Tetralins (327)
Phenanthrenes and derivatives (326)
Indanes (309)
Triphenyl compounds (278)
Pyrenes (227)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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91 – 105 of 77,916 results
91

1,5-Diphenylcarbazide, 97+%

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

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
92

Benzyl benzoate, 99+%

CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N Synonym: ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate PubChem CID: 2345 ChEBI: CHEBI:41237 IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 2345
CAS 120-51-4
Molecular Weight (g/mol) 212.25
ChEBI CHEBI:41237
MDL Number MFCD00003075
SMILES O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
Synonym ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate
IUPAC Name benzyl benzoate
InChI Key SESFRYSPDFLNCH-UHFFFAOYSA-N
Molecular Formula C14H12O2
93

4-Methoxyphenol, 99%

CAS: 150-76-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002332 InChI Key: NWVVVBRKAWDGAB-UHFFFAOYSA-N Synonym: mequinol,4-hydroxyanisole,p-hydroxyanisole,p-methoxyphenol,hydroquinone monomethyl ether,phenol, 4-methoxy,leucobasal,mehq,leucodine b,mechinolum PubChem CID: 9015 ChEBI: CHEBI:69441 IUPAC Name: 4-methoxyphenol SMILES: COC1=CC=C(O)C=C1

PubChem CID 9015
CAS 150-76-5
Molecular Weight (g/mol) 124.14
ChEBI CHEBI:69441
MDL Number MFCD00002332
SMILES COC1=CC=C(O)C=C1
Synonym mequinol,4-hydroxyanisole,p-hydroxyanisole,p-methoxyphenol,hydroquinone monomethyl ether,phenol, 4-methoxy,leucobasal,mehq,leucodine b,mechinolum
IUPAC Name 4-methoxyphenol
InChI Key NWVVVBRKAWDGAB-UHFFFAOYSA-N
Molecular Formula C7H8O2
94

5,5'-Dithiobis(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

PubChem CID 6254
CAS 69-78-3
Molecular Weight (g/mol) 396.34
ChEBI CHEBI:86228
MDL Number MFCD00007140
SMILES OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula C14H8N2O8S2
95

Thimerosal

CAS: 54-64-8 Molecular Formula: C9H9HgNaO2S Molecular Weight (g/mol): 404.81 MDL Number: MFCD00013062 InChI Key: RTKIYNMVFMVABJ-UHFFFAOYSA-L Synonym: thimerosal,thiomersal,thiomersalate,mercurothiolate,sodium merthiolate,sodium ethylmercurithiosalicylate,merthiolate,thimerosalate,thimerosalum,thimersalate PubChem CID: 16684434 ChEBI: CHEBI:9546 SMILES: [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O

PubChem CID 16684434
CAS 54-64-8
Molecular Weight (g/mol) 404.81
ChEBI CHEBI:9546
MDL Number MFCD00013062
SMILES [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O
Synonym thimerosal,thiomersal,thiomersalate,mercurothiolate,sodium merthiolate,sodium ethylmercurithiosalicylate,merthiolate,thimerosalate,thimerosalum,thimersalate
InChI Key RTKIYNMVFMVABJ-UHFFFAOYSA-L
Molecular Formula C9H9HgNaO2S
96

2,3,4,5,6-Pentafluorostyrene, 98%, stab. with 250ppm 4-tert-butylcatechol

CAS: 653-34-9 Molecular Formula: C8H3F5 Molecular Weight (g/mol): 194.104 MDL Number: MFCD00000300 InChI Key: LVJZCPNIJXVIAT-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorostyrene,pentafluorostyrene,benzene, ethenylpentafluoro,1,2,3,4,5-pentafluoro-6-vinyl-benzene,2',3',4',5',6'-pentafluorostyrene,2-2,3,4,5,6-pentafluorophenyl ethyl,vinylpentafluorobenzene,acmc-1avmt,styrene, 2,3,4,5,6-pentafluoro,1,2,3,4,5-pentafluoro-6-vinylbenzene PubChem CID: 69556 IUPAC Name: 1-ethenyl-2,3,4,5,6-pentafluorobenzene SMILES: C=CC1=C(C(=C(C(=C1F)F)F)F)F

PubChem CID 69556
CAS 653-34-9
Molecular Weight (g/mol) 194.104
MDL Number MFCD00000300
SMILES C=CC1=C(C(=C(C(=C1F)F)F)F)F
Synonym 2,3,4,5,6-pentafluorostyrene,pentafluorostyrene,benzene, ethenylpentafluoro,1,2,3,4,5-pentafluoro-6-vinyl-benzene,2',3',4',5',6'-pentafluorostyrene,2-2,3,4,5,6-pentafluorophenyl ethyl,vinylpentafluorobenzene,acmc-1avmt,styrene, 2,3,4,5,6-pentafluoro,1,2,3,4,5-pentafluoro-6-vinylbenzene
IUPAC Name 1-ethenyl-2,3,4,5,6-pentafluorobenzene
InChI Key LVJZCPNIJXVIAT-UHFFFAOYSA-N
Molecular Formula C8H3F5
97

4-tert-Butylcatechol, 99%

CAS: 98-29-3 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002201 InChI Key: XESZUVZBAMCAEJ-UHFFFAOYSA-N Synonym: 4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin PubChem CID: 7381 IUPAC Name: 4-tert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC=C(O)C(O)=C1

PubChem CID 7381
CAS 98-29-3
Molecular Weight (g/mol) 166.22
MDL Number MFCD00002201
SMILES CC(C)(C)C1=CC=C(O)C(O)=C1
Synonym 4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin
IUPAC Name 4-tert-butylbenzene-1,2-diol
InChI Key XESZUVZBAMCAEJ-UHFFFAOYSA-N
Molecular Formula C10H14O2
98

N-Fmoc-beta-alanine, 99%

CAS: 35737-10-1 Molecular Formula: C18H16NO4 Molecular Weight (g/mol): 310.33 MDL Number: MFCD00063328 InChI Key: LINBWYYLPWJQHE-UHFFFAOYSA-M Synonym: fmoc-beta-alanine,fmoc-beta-ala-oh,fmoc-b-ala-oh,fmoc-?-ala-oh,n-fmoc-beta-alanine,fmoc-b-alanine,3-9h-fluoren-9-ylmethoxy carbonyl amino propanoic acid,fmoc-,a-ala-oh,3-9h-fluoren-9-yl methoxy carbonyl amino propanoic acid,n-9h-fluoren-9-ylmethoxy carbonyl-beta-alanine PubChem CID: 2724630 IUPAC Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid SMILES: [O-]C(=O)CCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

PubChem CID 2724630
CAS 35737-10-1
Molecular Weight (g/mol) 310.33
MDL Number MFCD00063328
SMILES [O-]C(=O)CCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
Synonym fmoc-beta-alanine,fmoc-beta-ala-oh,fmoc-b-ala-oh,fmoc-?-ala-oh,n-fmoc-beta-alanine,fmoc-b-alanine,3-9h-fluoren-9-ylmethoxy carbonyl amino propanoic acid,fmoc-,a-ala-oh,3-9h-fluoren-9-yl methoxy carbonyl amino propanoic acid,n-9h-fluoren-9-ylmethoxy carbonyl-beta-alanine
IUPAC Name 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI Key LINBWYYLPWJQHE-UHFFFAOYSA-M
Molecular Formula C18H16NO4
99

4-Aminothiophenol, 96%

CAS: 1193-02-8 Molecular Formula: C6H6NS Molecular Weight (g/mol): 124.18 MDL Number: MFCD00007880 InChI Key: WCDSVWRUXWCYFN-UHFFFAOYSA-M Synonym: 4-aminothiophenol,4-mercaptoaniline,p-aminothiophenol,p-aminobenzenethiol,4-amino thiophenol,benzenethiol, 4-amino,p-mercaptoaniline,benzenethiol, p-amino,p-aminophenylmercaptan,4-aminophenyl mercaptan PubChem CID: 14510 IUPAC Name: 4-aminobenzenethiol SMILES: NC1=CC=C([S-])C=C1

PubChem CID 14510
CAS 1193-02-8
Molecular Weight (g/mol) 124.18
MDL Number MFCD00007880
SMILES NC1=CC=C([S-])C=C1
Synonym 4-aminothiophenol,4-mercaptoaniline,p-aminothiophenol,p-aminobenzenethiol,4-amino thiophenol,benzenethiol, 4-amino,p-mercaptoaniline,benzenethiol, p-amino,p-aminophenylmercaptan,4-aminophenyl mercaptan
IUPAC Name 4-aminobenzenethiol
InChI Key WCDSVWRUXWCYFN-UHFFFAOYSA-M
Molecular Formula C6H6NS
100

4-Methoxybenzyl alcohol, 98%

CAS: 105-13-5 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004653 InChI Key: MSHFRERJPWKJFX-UHFFFAOYSA-N Synonym: 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol PubChem CID: 7738 ChEBI: CHEBI:86918 IUPAC Name: (4-methoxyphenyl)methanol SMILES: COC1=CC=C(CO)C=C1

PubChem CID 7738
CAS 105-13-5
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:86918
MDL Number MFCD00004653
SMILES COC1=CC=C(CO)C=C1
Synonym 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol
IUPAC Name (4-methoxyphenyl)methanol
InChI Key MSHFRERJPWKJFX-UHFFFAOYSA-N
Molecular Formula C8H10O2
101

2,6-Di-tert-butyl-4-methylphenol, 99%

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

PubChem CID 31404
CAS 128-37-0
Molecular Weight (g/mol) 220.35
ChEBI CHEBI:34247
MDL Number MFCD00011644
SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name 2,6-ditert-butyl-4-methylphenol
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
102

Benzyltriphenylphosphonium chloride, 99%

CAS: 1100-88-5 Molecular Formula: C25H22ClP Molecular Weight (g/mol): 388.87 MDL Number: MFCD00011913 InChI Key: USFRYJRPHFMVBZ-UHFFFAOYSA-M Synonym: benzyltriphenylphosphonium chloride,triphenylbenzylphosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride,benzyltriphenylphosphanium chloride,benzyl triphenylphosphonium chloride,benzyl-triphenyl-phosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride 1:1,triphenylbenzylphosphine, chloride,benzyl triphenyl phosphoniumchlorid PubChem CID: 70671 IUPAC Name: benzyl(triphenyl)phosphanium;chloride SMILES: [Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 70671
CAS 1100-88-5
Molecular Weight (g/mol) 388.87
MDL Number MFCD00011913
SMILES [Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym benzyltriphenylphosphonium chloride,triphenylbenzylphosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride,benzyltriphenylphosphanium chloride,benzyl triphenylphosphonium chloride,benzyl-triphenyl-phosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride 1:1,triphenylbenzylphosphine, chloride,benzyl triphenyl phosphoniumchlorid
IUPAC Name benzyl(triphenyl)phosphanium;chloride
InChI Key USFRYJRPHFMVBZ-UHFFFAOYSA-M
Molecular Formula C25H22ClP
103

4-Acetamidophenol, 98%

CAS: 103-90-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00002328 InChI Key: RZVAJINKPMORJF-UHFFFAOYSA-N Synonym: acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol PubChem CID: 1983 ChEBI: CHEBI:46195 IUPAC Name: N-(4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C=C1

PubChem CID 1983
CAS 103-90-2
Molecular Weight (g/mol) 151.17
ChEBI CHEBI:46195
MDL Number MFCD00002328
SMILES CC(=O)NC1=CC=C(O)C=C1
Synonym acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol
IUPAC Name N-(4-hydroxyphenyl)acetamide
InChI Key RZVAJINKPMORJF-UHFFFAOYSA-N
Molecular Formula C8H9NO2
104

Bromobenzene, 99%

CAS: 108-86-1 Molecular Formula: C6H5Br Molecular Weight (g/mol): 157.01 MDL Number: MFCD00000055 InChI Key: QARVLSVVCXYDNA-UHFFFAOYSA-N Synonym: benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47 PubChem CID: 7961 ChEBI: CHEBI:3179 IUPAC Name: bromobenzene SMILES: BrC1=CC=CC=C1

PubChem CID 7961
CAS 108-86-1
Molecular Weight (g/mol) 157.01
ChEBI CHEBI:3179
MDL Number MFCD00000055
SMILES BrC1=CC=CC=C1
Synonym benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47
IUPAC Name bromobenzene
InChI Key QARVLSVVCXYDNA-UHFFFAOYSA-N
Molecular Formula C6H5Br
105

Benzyl chloride, 99%, stab.

CAS: 100-44-7 Molecular Formula: C7H7Cl Molecular Weight (g/mol): 126.583 MDL Number: MFCD00000889 InChI Key: KCXMKQUNVWSEMD-UHFFFAOYSA-N Synonym: benzyl chloride,chloromethyl benzene,benzylchloride,alpha-chlorotoluene,benzylchlorid,chlorophenylmethane,benzene, chloromethyl,chlorure de benzyle,tolyl chloride,alpha-chlortoluol PubChem CID: 7503 ChEBI: CHEBI:615597 IUPAC Name: chloromethylbenzene SMILES: C1=CC=C(C=C1)CCl

PubChem CID 7503
CAS 100-44-7
Molecular Weight (g/mol) 126.583
ChEBI CHEBI:615597
MDL Number MFCD00000889
SMILES C1=CC=C(C=C1)CCl
Synonym benzyl chloride,chloromethyl benzene,benzylchloride,alpha-chlorotoluene,benzylchlorid,chlorophenylmethane,benzene, chloromethyl,chlorure de benzyle,tolyl chloride,alpha-chlortoluol
IUPAC Name chloromethylbenzene
InChI Key KCXMKQUNVWSEMD-UHFFFAOYSA-N
Molecular Formula C7H7Cl