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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 (256)
Phenols (19)
Fluorenes (15)
Naphthalenes (5)

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1

eMolecules​ AstaTech / 4-(4-(TRIFLUOROMETHYL)PHENYL)PYRIDINE / 0.25g / 718058080 / D82750 / 95.000 / 220000-88-4 / MFCD08235161 / 223.198 / C12H8F3N

AstaTech / 4-(4-(TRIFLUOROMETHYL)PHENYL)PYRIDINE / 0.25g / 718058080 / D82750 / 95.000 / 220000-88-4 / MFCD08235161 / 223.198 / C12H8F3N

ENCOMPASS_PREFERRED
2

2,4,6-Trichlorophenol 97.0+%, TCI America™

CAS: 88-06-2 Molecular Formula: C6H3Cl3O Molecular Weight (g/mol): 197.439 MDL Number: MFCD00002172 InChI Key: LINPIYWFGCPVIE-UHFFFAOYSA-N Synonym: dowicide 2s,phenachlor,phenol, 2,4,6-trichloro,omal,phenaclor,rcra waste number u231,dowcide 2s,1,3,5-trichloro-2-hydroxybenzene,2,4,6-trichlorfenol,unii-mhs8c5bauz PubChem CID: 6914 ChEBI: CHEBI:28755 IUPAC Name: 2,4,6-trichlorophenol SMILES: C1=C(C=C(C(=C1Cl)O)Cl)Cl

PubChem CID 6914
CAS 88-06-2
Molecular Weight (g/mol) 197.439
ChEBI CHEBI:28755
MDL Number MFCD00002172
SMILES C1=C(C=C(C(=C1Cl)O)Cl)Cl
Synonym dowicide 2s,phenachlor,phenol, 2,4,6-trichloro,omal,phenaclor,rcra waste number u231,dowcide 2s,1,3,5-trichloro-2-hydroxybenzene,2,4,6-trichlorfenol,unii-mhs8c5bauz
IUPAC Name 2,4,6-trichlorophenol
InChI Key LINPIYWFGCPVIE-UHFFFAOYSA-N
Molecular Formula C6H3Cl3O
3

4-Chlorobenzaldehyde 97.0+%, TCI America™

CAS: 104-88-1 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.566 MDL Number: MFCD00003379 InChI Key: AVPYQKSLYISFPO-UHFFFAOYSA-N Synonym: p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z PubChem CID: 7726 ChEBI: CHEBI:28105 IUPAC Name: 4-chlorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Cl

PubChem CID 7726
CAS 104-88-1
Molecular Weight (g/mol) 140.566
ChEBI CHEBI:28105
MDL Number MFCD00003379
SMILES C1=CC(=CC=C1C=O)Cl
Synonym p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z
IUPAC Name 4-chlorobenzaldehyde
InChI Key AVPYQKSLYISFPO-UHFFFAOYSA-N
Molecular Formula C7H5ClO
4

2,2',4,4'-Tetramethylbenzophenone 96.0+%, TCI America™

CAS: 3478-88-4 Molecular Formula: C17H18O Molecular Weight (g/mol): 238.33 MDL Number: MFCD00060094 InChI Key: KFNQSAKXSGGDAA-UHFFFAOYSA-N PubChem CID: 12274022 IUPAC Name: bis(2,4-dimethylphenyl)methanone SMILES: CC1=CC(C)=C(C=C1)C(=O)C1=C(C)C=C(C)C=C1

PubChem CID 12274022
CAS 3478-88-4
Molecular Weight (g/mol) 238.33
MDL Number MFCD00060094
SMILES CC1=CC(C)=C(C=C1)C(=O)C1=C(C)C=C(C)C=C1
IUPAC Name bis(2,4-dimethylphenyl)methanone
InChI Key KFNQSAKXSGGDAA-UHFFFAOYSA-N
Molecular Formula C17H18O
5

3,5-Difluorobenzaldehyde 98.0+%, TCI America™

CAS: 32085-88-4 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010329 InChI Key: ASOFZHSTJHGQDT-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone PubChem CID: 588160 IUPAC Name: 3,5-difluorobenzaldehyde SMILES: C1=C(C=C(C=C1F)F)C=O

PubChem CID 588160
CAS 32085-88-4
Molecular Weight (g/mol) 142.105
MDL Number MFCD00010329
SMILES C1=C(C=C(C=C1F)F)C=O
Synonym benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone
IUPAC Name 3,5-difluorobenzaldehyde
InChI Key ASOFZHSTJHGQDT-UHFFFAOYSA-N
Molecular Formula C7H4F2O
6

4-Isobutylbenzoic Acid 99.0+%, TCI America™

CAS: 38861-88-0 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00191658 InChI Key: VUBBCFWWSKOHTH-UHFFFAOYSA-N PubChem CID: 38111 IUPAC Name: 4-(2-methylpropyl)benzoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(O)=O

PubChem CID 38111
CAS 38861-88-0
Molecular Weight (g/mol) 178.23
MDL Number MFCD00191658
SMILES CC(C)CC1=CC=C(C=C1)C(O)=O
IUPAC Name 4-(2-methylpropyl)benzoic acid
InChI Key VUBBCFWWSKOHTH-UHFFFAOYSA-N
Molecular Formula C11H14O2
7

4-Ethoxybenzyltriphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 82105-88-2 Molecular Formula: C27H26BrOP Molecular Weight (g/mol): 477.38 MDL Number: MFCD00011834 InChI Key: MZBKKJRCQNVENM-UHFFFAOYSA-M Synonym: 4-ethoxybenzyltriphenylphosphonium bromide,4-ethoxybenzyl triphenylphosphonium bromide,4-ethoxyphenyl methyl triphenylphosphanium bromide,acmc-209pn2,4-ethoxybenzyltriphenylphosphoniumbromide,p-ethoxybenzyltriphenylphosphonium bromide,4-ethoxybenzyl triphenylphosphoniumbromide,4-ethoxybenzyl triphenyl phosphonium bromide,4-ethoxyphenyl methyl-triphenylphosphanium bromide,4-ethoxyphenyl methyl triphenyl phosphanium bromide PubChem CID: 2724470 IUPAC Name: [(4-ethoxyphenyl)methyl]triphenylphosphanium bromide SMILES: [Br-].CCOC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1

PubChem CID 2724470
CAS 82105-88-2
Molecular Weight (g/mol) 477.38
MDL Number MFCD00011834
SMILES [Br-].CCOC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
Synonym 4-ethoxybenzyltriphenylphosphonium bromide,4-ethoxybenzyl triphenylphosphonium bromide,4-ethoxyphenyl methyl triphenylphosphanium bromide,acmc-209pn2,4-ethoxybenzyltriphenylphosphoniumbromide,p-ethoxybenzyltriphenylphosphonium bromide,4-ethoxybenzyl triphenylphosphoniumbromide,4-ethoxybenzyl triphenyl phosphonium bromide,4-ethoxyphenyl methyl-triphenylphosphanium bromide,4-ethoxyphenyl methyl triphenyl phosphanium bromide
IUPAC Name [(4-ethoxyphenyl)methyl]triphenylphosphanium bromide
InChI Key MZBKKJRCQNVENM-UHFFFAOYSA-M
Molecular Formula C27H26BrOP
8

4-Nitrodiphenyl Ether 98.0+%, TCI America™

CAS: 620-88-2 Molecular Formula: C12H9NO3 Molecular Weight (g/mol): 215.208 MDL Number: MFCD00007320 InChI Key: JDTMUJBWSGNMGR-UHFFFAOYSA-N Synonym: 4-nitrophenyl phenyl ether,4-nitrodiphenyl ether,p-nitrophenyl phenyl ether,benzene, 1-nitro-4-phenoxy,p-nitrodiphenyl ether,ether, 4-nitrophenyl phenyl,4-nitrodifenylether,ether, p-nitrophenyl phenyl,1-nitro-4-phenoxy-benzene,4-nitrobiphenyl ether PubChem CID: 12110 IUPAC Name: 1-nitro-4-phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

PubChem CID 12110
CAS 620-88-2
Molecular Weight (g/mol) 215.208
MDL Number MFCD00007320
SMILES C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
Synonym 4-nitrophenyl phenyl ether,4-nitrodiphenyl ether,p-nitrophenyl phenyl ether,benzene, 1-nitro-4-phenoxy,p-nitrodiphenyl ether,ether, 4-nitrophenyl phenyl,4-nitrodifenylether,ether, p-nitrophenyl phenyl,1-nitro-4-phenoxy-benzene,4-nitrobiphenyl ether
IUPAC Name 1-nitro-4-phenoxybenzene
InChI Key JDTMUJBWSGNMGR-UHFFFAOYSA-N
Molecular Formula C12H9NO3
9

3,4,5-Trimethoxyaniline 98.0+%, TCI America™

CAS: 24313-88-0 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD00008393 InChI Key: XEFRNCLPPFDWAC-UHFFFAOYSA-N Synonym: benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline PubChem CID: 32285 IUPAC Name: 3,4,5-trimethoxyaniline SMILES: COC1=CC(=CC(=C1OC)OC)N

PubChem CID 32285
CAS 24313-88-0
Molecular Weight (g/mol) 183.207
MDL Number MFCD00008393
SMILES COC1=CC(=CC(=C1OC)OC)N
Synonym benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline
IUPAC Name 3,4,5-trimethoxyaniline
InChI Key XEFRNCLPPFDWAC-UHFFFAOYSA-N
Molecular Formula C9H13NO3
10

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

CAS: 23145-88-2 Molecular Formula: C11H15ClN2 Molecular Weight (g/mol): 210.705 MDL Number: MFCD00040791 InChI Key: GSJXJZOWHSTWOX-UHFFFAOYSA-N Synonym: 1-4-chlorobenzyl piperazine,1-4-chlorophenyl methyl piperazine,4-chlorobenzylpiperazine,1-4-chlorobenzyl-piperazine,1-4-chloro-benzyl-piperazine,1-4-chloro benzyl piperazine,n-4-chlorobenzyl piperazine,4-chlorophenyl methyl piperazine,norhomochlorcyclizine,chlorobenzylpiperazin PubChem CID: 134826 IUPAC Name: 1-[(4-chlorophenyl)methyl]piperazine SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Cl

PubChem CID 134826
CAS 23145-88-2
Molecular Weight (g/mol) 210.705
MDL Number MFCD00040791
SMILES C1CN(CCN1)CC2=CC=C(C=C2)Cl
Synonym 1-4-chlorobenzyl piperazine,1-4-chlorophenyl methyl piperazine,4-chlorobenzylpiperazine,1-4-chlorobenzyl-piperazine,1-4-chloro-benzyl-piperazine,1-4-chloro benzyl piperazine,n-4-chlorobenzyl piperazine,4-chlorophenyl methyl piperazine,norhomochlorcyclizine,chlorobenzylpiperazin
IUPAC Name 1-[(4-chlorophenyl)methyl]piperazine
InChI Key GSJXJZOWHSTWOX-UHFFFAOYSA-N
Molecular Formula C11H15ClN2
11

Benzyltrimethylammonium Tetrachloroiodate 95.0+%, TCI America™

CAS: 121309-88-4 Molecular Formula: C10H16Cl4IN Molecular Weight (g/mol): 418.949 MDL Number: MFCD00191607 InChI Key: IBXYFQYYVRYALP-UHFFFAOYSA-N PubChem CID: 11122622 SMILES: C[N+](C)(C)CC1=CC=CC=C1.Cl[I-](Cl)(Cl)Cl

PubChem CID 11122622
CAS 121309-88-4
Molecular Weight (g/mol) 418.949
MDL Number MFCD00191607
SMILES C[N+](C)(C)CC1=CC=CC=C1.Cl[I-](Cl)(Cl)Cl
InChI Key IBXYFQYYVRYALP-UHFFFAOYSA-N
Molecular Formula C10H16Cl4IN
12

4-Chloro-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 6280-88-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007214 InChI Key: JAHIPDTWWVYVRV-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion PubChem CID: 80475 IUPAC Name: 4-chloro-2-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O

PubChem CID 80475
CAS 6280-88-2
Molecular Weight (g/mol) 201.56
MDL Number MFCD00007214
SMILES OC(=O)C1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym 4-chloro-2-nitrobenzoic acid,2-nitro-4-chlorobenzoic acid,4-chloro-2-nitrobenzoicacid,benzoic acid, 4-chloro-2-nitro,4-chloro-2-nitro-benzoic acid,acmc-1b6vn,ksc353a2d,2-carboxy-5-chloronitrobenzene,benzoicacid, 4-chloro-2-nitro,2-nitro-4-chlorobenzoic acid anion
IUPAC Name 4-chloro-2-nitrobenzoic acid
InChI Key JAHIPDTWWVYVRV-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
13

4-Bromophenylhydrazine Hydrochloride 98.0+%, TCI America™

CAS: 622-88-8 Molecular Formula: C6H8BrClN2 Molecular Weight (g/mol): 223.498 MDL Number: MFCD00012941 InChI Key: RGGOWBBBHWTTRE-UHFFFAOYSA-N Synonym: 4-bromophenylhydrazine hydrochloride,4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazine hcl,4-bromo phenyl hydrazine hydrochloride,p-bromophenylhydrazine monohydrochloride,hydrazine, 4-bromophenyl-, monohydrochloride,1-4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazinehydrochloride,p-bromophenylhydrazine hydrochloride PubChem CID: 12157 IUPAC Name: (4-bromophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC=C1NN)Br.Cl

PubChem CID 12157
CAS 622-88-8
Molecular Weight (g/mol) 223.498
MDL Number MFCD00012941
SMILES C1=CC(=CC=C1NN)Br.Cl
Synonym 4-bromophenylhydrazine hydrochloride,4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazine hcl,4-bromo phenyl hydrazine hydrochloride,p-bromophenylhydrazine monohydrochloride,hydrazine, 4-bromophenyl-, monohydrochloride,1-4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazinehydrochloride,p-bromophenylhydrazine hydrochloride
IUPAC Name (4-bromophenyl)hydrazine;hydrochloride
InChI Key RGGOWBBBHWTTRE-UHFFFAOYSA-N
Molecular Formula C6H8BrClN2
14

3-Chloro-4-nitrotoluene 98.0+%, TCI America™

CAS: 38939-88-7 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD02683043 InChI Key: KGSQRFPDZCBVBS-UHFFFAOYSA-N Synonym: 3-chloro-4-nitrotoluene,2-chloro-4-methyl-1-nitro-benzene,benzene, 2-chloro-4-methyl-1-nitro,pubchem4534,acmc-1afh8,ksc493s6j PubChem CID: 123478 IUPAC Name: 2-chloro-4-methyl-1-nitrobenzene SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])Cl

PubChem CID 123478
CAS 38939-88-7
Molecular Weight (g/mol) 171.58
MDL Number MFCD02683043
SMILES CC1=CC(=C(C=C1)[N+](=O)[O-])Cl
Synonym 3-chloro-4-nitrotoluene,2-chloro-4-methyl-1-nitro-benzene,benzene, 2-chloro-4-methyl-1-nitro,pubchem4534,acmc-1afh8,ksc493s6j
IUPAC Name 2-chloro-4-methyl-1-nitrobenzene
InChI Key KGSQRFPDZCBVBS-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
15

1-Bromo-2-(trifluoromethoxy)benzene 98.0+%, TCI America™

CAS: 64115-88-4 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.01 MDL Number: MFCD00040942 InChI Key: ITYCJCVRPBLODP-UHFFFAOYSA-N Synonym: 1-bromo-2-trifluoromethoxy benzene,2-trifluoromethoxy bromobenzene,2-bromo trifluoromethoxy benzene,o-trifluoromethoxybromobenzene,o-bromo trifluoromethoxy benzene,2-bromo-alpha,alpha,alpha-trifluoroanisole,2-bromophenyl trifluoromethyl ether,trifluoromethoxy bromobenzene,o-bromotrifluoromethoxybenzene,benzene, bromo trifluoromethoxy PubChem CID: 2777266 IUPAC Name: 1-bromo-2-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC=C1Br

PubChem CID 2777266
CAS 64115-88-4
Molecular Weight (g/mol) 241.01
MDL Number MFCD00040942
SMILES FC(F)(F)OC1=CC=CC=C1Br
Synonym 1-bromo-2-trifluoromethoxy benzene,2-trifluoromethoxy bromobenzene,2-bromo trifluoromethoxy benzene,o-trifluoromethoxybromobenzene,o-bromo trifluoromethoxy benzene,2-bromo-alpha,alpha,alpha-trifluoroanisole,2-bromophenyl trifluoromethyl ether,trifluoromethoxy bromobenzene,o-bromotrifluoromethoxybenzene,benzene, bromo trifluoromethoxy
IUPAC Name 1-bromo-2-(trifluoromethoxy)benzene
InChI Key ITYCJCVRPBLODP-UHFFFAOYSA-N
Molecular Formula C7H4BrF3O