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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 (137)
Naphthalenes (24)
Phenols (24)
Fluorenes (3)
Unsubstituted Phenols (2)
Thiophenols (1)

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1

(S)-(-)-1-(4-Fluorophenyl)ethylamine, ChiPros 99%, ee 99%

CAS: 66399-30-2 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.173 MDL Number: MFCD03092999 InChI Key: QGCLEUGNYRXBMZ-LURJTMIESA-N Synonym: s-1-4-fluorophenyl ethylamine,s-1-4-fluorophenyl ethanamine,1s-1-4-fluorophenyl ethanamine,1s-1-4-fluorophenyl ethylamine,s-1-4-fluoro-phenyl-ethylamine,s---1-4-fluorophenyl ethylamine,1s-1-4-fluorophenyl ethan-1-amine,pubchem15218,5-1-4-fluorophenyl ethanamine,s-4-fluoro-,a-methylbenzylamine PubChem CID: 2779063 IUPAC Name: (1S)-1-(4-fluorophenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)F)N

PubChem CID 2779063
CAS 66399-30-2
Molecular Weight (g/mol) 139.173
MDL Number MFCD03092999
SMILES CC(C1=CC=C(C=C1)F)N
Synonym s-1-4-fluorophenyl ethylamine,s-1-4-fluorophenyl ethanamine,1s-1-4-fluorophenyl ethanamine,1s-1-4-fluorophenyl ethylamine,s-1-4-fluoro-phenyl-ethylamine,s---1-4-fluorophenyl ethylamine,1s-1-4-fluorophenyl ethan-1-amine,pubchem15218,5-1-4-fluorophenyl ethanamine,s-4-fluoro-,a-methylbenzylamine
IUPAC Name (1S)-1-(4-fluorophenyl)ethanamine
InChI Key QGCLEUGNYRXBMZ-LURJTMIESA-N
Molecular Formula C8H10FN
2

2,4,6-Trifluoroaniline, 98%

CAS: 363-81-5 Molecular Formula: C6H4F3N MDL Number: MFCD00007650 InChI Key: BJSVKBGQDHUBHZ-UHFFFAOYSA-N Synonym: 2-amino-1,3,5-trifluorobenzene,2,4,6-trifluorobenzenamine,benzenamine, 2,4,6-trifluoro,2,4,6-trifluorophenylamine,pubchem2468,acmc-1cmhu,2,4,6 trifluoroaniline,2,4,6-tri-fluoroaniline,2,4,6-trifluoro aniline,2,4,6-trifluoro-aniline PubChem CID: 67765 IUPAC Name: 2,4,6-trifluoroaniline

PubChem CID 67765
CAS 363-81-5
MDL Number MFCD00007650
Synonym 2-amino-1,3,5-trifluorobenzene,2,4,6-trifluorobenzenamine,benzenamine, 2,4,6-trifluoro,2,4,6-trifluorophenylamine,pubchem2468,acmc-1cmhu,2,4,6 trifluoroaniline,2,4,6-tri-fluoroaniline,2,4,6-trifluoro aniline,2,4,6-trifluoro-aniline
IUPAC Name 2,4,6-trifluoroaniline
InChI Key BJSVKBGQDHUBHZ-UHFFFAOYSA-N
Molecular Formula C6H4F3N
3

2-[3-(Trifluoromethyl)phenyl]ethylamine, 98%

CAS: 52516-30-0 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.181 MDL Number: MFCD00040756 InChI Key: BPVYCXMGJPKOTQ-UHFFFAOYSA-N Synonym: 2-3-trifluoromethyl phenyl ethanamine,3-trifluoromethyl phenethylamine,2-3-trifluoromethylphenyl ethylamine,2-3-trifluoromethyl phenyl ethylamine,phenethylamine, m-trifluoromethyl,m-trifluoromethylphenethylamine,m-trifluoromethyl phenethylamine,benzeneethanamine, 3-trifluoromethyl,2-3-trifluoromethylphenyl-ethylamine PubChem CID: 104223 IUPAC Name: 2-[3-(trifluoromethyl)phenyl]ethanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCN

PubChem CID 104223
CAS 52516-30-0
Molecular Weight (g/mol) 189.181
MDL Number MFCD00040756
SMILES C1=CC(=CC(=C1)C(F)(F)F)CCN
Synonym 2-3-trifluoromethyl phenyl ethanamine,3-trifluoromethyl phenethylamine,2-3-trifluoromethylphenyl ethylamine,2-3-trifluoromethyl phenyl ethylamine,phenethylamine, m-trifluoromethyl,m-trifluoromethylphenethylamine,m-trifluoromethyl phenethylamine,benzeneethanamine, 3-trifluoromethyl,2-3-trifluoromethylphenyl-ethylamine
IUPAC Name 2-[3-(trifluoromethyl)phenyl]ethanamine
InChI Key BPVYCXMGJPKOTQ-UHFFFAOYSA-N
Molecular Formula C9H10F3N
4

Metoclopramide hydrochloride

CAS: 54143-57-6 Molecular Formula: C14H25Cl2N3O3 Molecular Weight (g/mol): 354.27 MDL Number: MFCD00150634 InChI Key: KJBLQGHJOCAOJP-UHFFFAOYSA-N PubChem CID: 441347 ChEBI: CHEBI:6899 IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride SMILES: O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC

PubChem CID 441347
CAS 54143-57-6
Molecular Weight (g/mol) 354.27
ChEBI CHEBI:6899
MDL Number MFCD00150634
SMILES O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
IUPAC Name 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride
InChI Key KJBLQGHJOCAOJP-UHFFFAOYSA-N
Molecular Formula C14H25Cl2N3O3
5

2-Bromostyrene, 96%, stab. with ca 0.05% 4-tert-butylcatechol

CAS: 2039-88-5 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000076 InChI Key: SSZOCHFYWWVSAI-UHFFFAOYSA-N Synonym: 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene PubChem CID: 16264 IUPAC Name: 1-bromo-2-ethenylbenzene SMILES: C=CC1=CC=CC=C1Br

PubChem CID 16264
CAS 2039-88-5
Molecular Weight (g/mol) 183.048
MDL Number MFCD00000076
SMILES C=CC1=CC=CC=C1Br
Synonym 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene
IUPAC Name 1-bromo-2-ethenylbenzene
InChI Key SSZOCHFYWWVSAI-UHFFFAOYSA-N
Molecular Formula C8H7Br
6

5-Sulfosalicylic acid dihydrate, ACS, 99+%

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid;dihydrate SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

PubChem CID 2723734
CAS 5965-83-3
Molecular Weight (g/mol) 250.27
MDL Number MFCD00007508,MFCD00149540
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
IUPAC Name 2-hydroxy-5-sulfobenzoic acid;dihydrate
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
7

2-(Methylthio)phenol, 97+%

CAS: 1073-29-6 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.20 MDL Number: MFCD00002211 InChI Key: SOOARYARZPXNAL-UHFFFAOYSA-N Synonym: 2-methylthio phenol,2-hydroxythioanisole,2-methylsulfanyl phenol,2-hydroxy thioanisole,phenol, 2-methylthio,o-hydroxythioanisole,o-methylthio phenol,phenol, o-methylthio,2-methylmercaptophenol,2-methylmercapto phenol PubChem CID: 61261 IUPAC Name: 2-methylsulfanylphenol SMILES: CSC1=CC=CC=C1O

PubChem CID 61261
CAS 1073-29-6
Molecular Weight (g/mol) 140.20
MDL Number MFCD00002211
SMILES CSC1=CC=CC=C1O
Synonym 2-methylthio phenol,2-hydroxythioanisole,2-methylsulfanyl phenol,2-hydroxy thioanisole,phenol, 2-methylthio,o-hydroxythioanisole,o-methylthio phenol,phenol, o-methylthio,2-methylmercaptophenol,2-methylmercapto phenol
IUPAC Name 2-methylsulfanylphenol
InChI Key SOOARYARZPXNAL-UHFFFAOYSA-N
Molecular Formula C7H8OS
8

4-Bromo-9,9-diphenylfluorene 98.0+%, TCI America™

CAS: 713125-22-5 Molecular Formula: C25H17Br Molecular Weight (g/mol): 397.32 MDL Number: MFCD27923067 InChI Key: PBWATBVKPGTOTB-UHFFFAOYSA-N PubChem CID: 71721492 IUPAC Name: 4-bromo-9,9-diphenyl-9H-fluorene SMILES: BrC1=CC=CC2=C1C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 71721492
CAS 713125-22-5
Molecular Weight (g/mol) 397.32
MDL Number MFCD27923067
SMILES BrC1=CC=CC2=C1C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 4-bromo-9,9-diphenyl-9H-fluorene
InChI Key PBWATBVKPGTOTB-UHFFFAOYSA-N
Molecular Formula C25H17Br
9

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

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
10

Dodecylbenzenesulfonic Acid (soft type) (mixture) 95.0+%, TCI America™

CAS: 68584-22-5 Molecular Formula: C18H30O3S Molecular Weight (g/mol): 326.495 MDL Number: MFCD00066677 InChI Key: QJRVOJKLQNSNDB-UHFFFAOYSA-N Synonym: p-3-dodecyl benzenesulphonic acid,c10-c16 alkylbenzenesulfonic acid,3-4-sulfophenyl dodecane,benzenesulfonic acid, 4-1-ethyldecyl,benzenesulfonic acid, c10-16-alkyl derivs.,dsstox_cid_7923,4-dodecan-3-yl benzenesulfonic acid,c10-c16 alkyl benzene sulfonic acid PubChem CID: 29249 IUPAC Name: 4-dodecan-3-ylbenzenesulfonic acid SMILES: CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O

PubChem CID 29249
CAS 68584-22-5
Molecular Weight (g/mol) 326.495
MDL Number MFCD00066677
SMILES CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O
Synonym p-3-dodecyl benzenesulphonic acid,c10-c16 alkylbenzenesulfonic acid,3-4-sulfophenyl dodecane,benzenesulfonic acid, 4-1-ethyldecyl,benzenesulfonic acid, c10-16-alkyl derivs.,dsstox_cid_7923,4-dodecan-3-yl benzenesulfonic acid,c10-c16 alkyl benzene sulfonic acid
IUPAC Name 4-dodecan-3-ylbenzenesulfonic acid
InChI Key QJRVOJKLQNSNDB-UHFFFAOYSA-N
Molecular Formula C18H30O3S
11

4-Methylbenzohydrazide 98.0+%, TCI America™

CAS: 3619-22-5 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00007607 InChI Key: MFFVZXOPRXMVET-UHFFFAOYSA-N Synonym: p-toluic hydrazide,p-toluic acid hydrazide,p-toluoylhydrazine,4-methylbenzoylhydrazine,p-toluic acid, hydrazide,4-methylbenzoic acid hydrazide,p-methylbenzohydrazide,p-toluohydrazide,p-methylbenzoylhydrazine,4-toluic acid hydrazide PubChem CID: 77174 IUPAC Name: 4-methylbenzohydrazide SMILES: CC1=CC=C(C=C1)C(=O)NN

PubChem CID 77174
CAS 3619-22-5
Molecular Weight (g/mol) 150.18
MDL Number MFCD00007607
SMILES CC1=CC=C(C=C1)C(=O)NN
Synonym p-toluic hydrazide,p-toluic acid hydrazide,p-toluoylhydrazine,4-methylbenzoylhydrazine,p-toluic acid, hydrazide,4-methylbenzoic acid hydrazide,p-methylbenzohydrazide,p-toluohydrazide,p-methylbenzoylhydrazine,4-toluic acid hydrazide
IUPAC Name 4-methylbenzohydrazide
InChI Key MFFVZXOPRXMVET-UHFFFAOYSA-N
Molecular Formula C8H10N2O
12

3-Bromo-2,5,6-trimethoxybenzoic Acid 97.0+%, TCI America™

CAS: 101460-22-4 Molecular Formula: C10H11BrO5 Molecular Weight (g/mol): 291.097 MDL Number: MFCD00191620 InChI Key: YHDRAWVCUZZYCU-UHFFFAOYSA-N PubChem CID: 625925 IUPAC Name: 3-bromo-2,5,6-trimethoxybenzoic acid SMILES: COC1=CC(=C(C(=C1OC)C(=O)O)OC)Br

PubChem CID 625925
CAS 101460-22-4
Molecular Weight (g/mol) 291.097
MDL Number MFCD00191620
SMILES COC1=CC(=C(C(=C1OC)C(=O)O)OC)Br
IUPAC Name 3-bromo-2,5,6-trimethoxybenzoic acid
InChI Key YHDRAWVCUZZYCU-UHFFFAOYSA-N
Molecular Formula C10H11BrO5
13

5-Hydroxy-2-methylbenzoic Acid 98.0+%, TCI America™

CAS: 578-22-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD09833184 InChI Key: ZIOYQUNKXJQXQY-UHFFFAOYSA-N Synonym: 5-hydroxy-2-methyl-benzoic acid,5,2-cresotic acid,5-hydroxy-o-toluic acid,benzoic acid, 5-hydroxy-2-methyl,2-methyl-5-hydroxybenzoic acid,acmc-1b0c9,ksc494s9h,5-hydroxy-2-methylbenzoic acid PubChem CID: 235188 IUPAC Name: 5-hydroxy-2-methylbenzoic acid SMILES: CC1=CC=C(O)C=C1C(O)=O

PubChem CID 235188
CAS 578-22-3
Molecular Weight (g/mol) 152.15
MDL Number MFCD09833184
SMILES CC1=CC=C(O)C=C1C(O)=O
Synonym 5-hydroxy-2-methyl-benzoic acid,5,2-cresotic acid,5-hydroxy-o-toluic acid,benzoic acid, 5-hydroxy-2-methyl,2-methyl-5-hydroxybenzoic acid,acmc-1b0c9,ksc494s9h,5-hydroxy-2-methylbenzoic acid
IUPAC Name 5-hydroxy-2-methylbenzoic acid
InChI Key ZIOYQUNKXJQXQY-UHFFFAOYSA-N
Molecular Formula C8H8O3
14

2-Fluoro-5-formylbenzonitrile 98.0+%, TCI America™

CAS: 218301-22-5 Molecular Formula: C8H4FNO Molecular Weight (g/mol): 149.124 MDL Number: MFCD01863558 InChI Key: MOFRJTLODZILCR-UHFFFAOYSA-N Synonym: 3-cyano-4-fluorobenzaldehyde,4-fluoro-3-cyanobenzaldehyde,2-fluoro-5-formyl-benzonitrile,benzonitrile, 2-fluoro-5-formyl,2-fluoro-5-formylbenzenecarbonitrile,2-fluor-5-formylbenzonitrile,10014 2-fluoro-5-formyl benzonitrile,pubchem2252,acmc-1cfa9,fluoro-5-formylbenzonitrile PubChem CID: 2769582 IUPAC Name: 2-fluoro-5-formylbenzonitrile SMILES: C1=CC(=C(C=C1C=O)C#N)F

PubChem CID 2769582
CAS 218301-22-5
Molecular Weight (g/mol) 149.124
MDL Number MFCD01863558
SMILES C1=CC(=C(C=C1C=O)C#N)F
Synonym 3-cyano-4-fluorobenzaldehyde,4-fluoro-3-cyanobenzaldehyde,2-fluoro-5-formyl-benzonitrile,benzonitrile, 2-fluoro-5-formyl,2-fluoro-5-formylbenzenecarbonitrile,2-fluor-5-formylbenzonitrile,10014 2-fluoro-5-formyl benzonitrile,pubchem2252,acmc-1cfa9,fluoro-5-formylbenzonitrile
IUPAC Name 2-fluoro-5-formylbenzonitrile
InChI Key MOFRJTLODZILCR-UHFFFAOYSA-N
Molecular Formula C8H4FNO
15

2-(2-Hydroxy-5-methylphenyl)benzotriazole 99.0+%, TCI America™

CAS: 2440-22-4 Molecular Formula: C13H11N3O Molecular Weight (g/mol): 225.251 MDL Number: MFCD00022903 InChI Key: MCPKSFINULVDNX-UHFFFAOYSA-N Synonym: drometrizole,benazol p,tinuvin p,2-2-benzotriazolyl-p-cresol,uv absorber-1,2-2-hydroxy-5-methylphenyl benzotriazole,2-2h-benzotriazol-2-yl-p-cresol,2-2h-benzo d 1,2,3 triazol-2-yl-4-methylphenol,tin p,porex p PubChem CID: 17113 IUPAC Name: 2-(benzotriazol-2-yl)-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2

PubChem CID 17113
CAS 2440-22-4
Molecular Weight (g/mol) 225.251
MDL Number MFCD00022903
SMILES CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
Synonym drometrizole,benazol p,tinuvin p,2-2-benzotriazolyl-p-cresol,uv absorber-1,2-2-hydroxy-5-methylphenyl benzotriazole,2-2h-benzotriazol-2-yl-p-cresol,2-2h-benzo d 1,2,3 triazol-2-yl-4-methylphenol,tin p,porex p
IUPAC Name 2-(benzotriazol-2-yl)-4-methylphenol
InChI Key MCPKSFINULVDNX-UHFFFAOYSA-N
Molecular Formula C13H11N3O