Benzenoids
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4-Bromo-1,1,7,7-tetraethyl-1,2,3,5,6,7-hexahydro-3,3,5,5-tetramethyl-s-indacene 95.0+%, TCI America™
CAS: 1142818-90-3 Molecular Formula: C24H37Br Molecular Weight (g/mol): 405.46 MDL Number: MFCD28100820 InChI Key: DTVNULIVVOTHAI-UHFFFAOYSA-N Synonym: EMind-Br PubChem CID: 91972079 IUPAC Name: 4-bromo-1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacene SMILES: CCC1(CC)CC(C)(C)C2=C(Br)C3=C(C=C12)C(CC)(CC)CC3(C)C
| PubChem CID | 91972079 |
|---|---|
| CAS | 1142818-90-3 |
| Molecular Weight (g/mol) | 405.46 |
| MDL Number | MFCD28100820 |
| SMILES | CCC1(CC)CC(C)(C)C2=C(Br)C3=C(C=C12)C(CC)(CC)CC3(C)C |
| Synonym | EMind-Br |
| IUPAC Name | 4-bromo-1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacene |
| InChI Key | DTVNULIVVOTHAI-UHFFFAOYSA-N |
| Molecular Formula | C24H37Br |
2-Bromo-1-indanol 98.0+%, TCI America™
CAS: 5400-80-6 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.07 MDL Number: MFCD00003798 InChI Key: RTESDSDXFLYAKZ-UHFFFAOYNA-N Synonym: 2-bromo-1-indanol,2-bromoindan-1-ol,1-hydroxy-2-bromoindan,2-bromo-1-hydroxyindane,2-bromo-1-hydroxyhydrindene,1h-inden-1-ol, 2-bromo-2,3-dihydro,trans-2-bromo-1-indanol,bromoindanol,acmc-20ajgx,pubchem3783 PubChem CID: 95444 IUPAC Name: 2-bromo-2,3-dihydro-1H-inden-1-ol SMILES: OC1C(Br)CC2=CC=CC=C12
| PubChem CID | 95444 |
|---|---|
| CAS | 5400-80-6 |
| Molecular Weight (g/mol) | 213.07 |
| MDL Number | MFCD00003798 |
| SMILES | OC1C(Br)CC2=CC=CC=C12 |
| Synonym | 2-bromo-1-indanol,2-bromoindan-1-ol,1-hydroxy-2-bromoindan,2-bromo-1-hydroxyindane,2-bromo-1-hydroxyhydrindene,1h-inden-1-ol, 2-bromo-2,3-dihydro,trans-2-bromo-1-indanol,bromoindanol,acmc-20ajgx,pubchem3783 |
| IUPAC Name | 2-bromo-2,3-dihydro-1H-inden-1-ol |
| InChI Key | RTESDSDXFLYAKZ-UHFFFAOYNA-N |
| Molecular Formula | C9H9BrO |
3-Methoxydiphenylamine 98.0+%, TCI America™
CAS: 101-16-6 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.253 MDL Number: MFCD00008383 InChI Key: MKASXAGBWHIGCF-UHFFFAOYSA-N Synonym: 3-methoxydiphenylamine,n-phenyl-m-anisidine,benzenamine, 3-methoxy-n-phenyl,n-phenyl-3-methoxyaniline,n1-phenyl-3-methoxyaniline,n-3-methoxyphenyl-n-phenylamine,3-methoxy-n-phenylbenzenamine,3-methoxydiphenylamin,3-methoxy diphenylamine,pubchem13530 PubChem CID: 7544 IUPAC Name: 3-methoxy-N-phenylaniline SMILES: COC1=CC=CC(=C1)NC2=CC=CC=C2
| PubChem CID | 7544 |
|---|---|
| CAS | 101-16-6 |
| Molecular Weight (g/mol) | 199.253 |
| MDL Number | MFCD00008383 |
| SMILES | COC1=CC=CC(=C1)NC2=CC=CC=C2 |
| Synonym | 3-methoxydiphenylamine,n-phenyl-m-anisidine,benzenamine, 3-methoxy-n-phenyl,n-phenyl-3-methoxyaniline,n1-phenyl-3-methoxyaniline,n-3-methoxyphenyl-n-phenylamine,3-methoxy-n-phenylbenzenamine,3-methoxydiphenylamin,3-methoxy diphenylamine,pubchem13530 |
| IUPAC Name | 3-methoxy-N-phenylaniline |
| InChI Key | MKASXAGBWHIGCF-UHFFFAOYSA-N |
| Molecular Formula | C13H13NO |
Methyl 4-Nitrobenzoate 98.0+%, TCI America™
CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 12083 |
|---|---|
| CAS | 619-50-1 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007350 |
| SMILES | COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester |
| IUPAC Name | methyl 4-nitrobenzoate |
| InChI Key | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
4-Cyano-4'-ethylbiphenyl 98.0+%, TCI America™
CAS: 58743-75-2 Molecular Formula: C15H13N Molecular Weight (g/mol): 207.276 MDL Number: MFCD00799420 InChI Key: DLLIPJSMDJCZRF-UHFFFAOYSA-N Synonym: 4-cyano-4'-ethylbiphenyl,4'-ethyl-1,1'-biphenyl-4-carbonitrile,4-ethyl-4'-cyanobiphenyl,4-4-ethylphenyl benzonitrile,1,1'-biphenyl-4-carbonitrile, 4'-ethyl,4'-ethylbiphenyl-4-carbonitrile,4-4-ethylphenyl benzenecarbonitrile,pubchem2521,4'-ethyl-4-cyanobiphenyl PubChem CID: 93890 IUPAC Name: 4-(4-ethylphenyl)benzonitrile SMILES: CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 93890 |
|---|---|
| CAS | 58743-75-2 |
| Molecular Weight (g/mol) | 207.276 |
| MDL Number | MFCD00799420 |
| SMILES | CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4-cyano-4'-ethylbiphenyl,4'-ethyl-1,1'-biphenyl-4-carbonitrile,4-ethyl-4'-cyanobiphenyl,4-4-ethylphenyl benzonitrile,1,1'-biphenyl-4-carbonitrile, 4'-ethyl,4'-ethylbiphenyl-4-carbonitrile,4-4-ethylphenyl benzenecarbonitrile,pubchem2521,4'-ethyl-4-cyanobiphenyl |
| IUPAC Name | 4-(4-ethylphenyl)benzonitrile |
| InChI Key | DLLIPJSMDJCZRF-UHFFFAOYSA-N |
| Molecular Formula | C15H13N |
2,3-Dimethoxyaniline 98.0+%, TCI America™
CAS: 6299-67-8 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.181 MDL Number: MFCD00180769 InChI Key: HEZIOZBMPKPOER-UHFFFAOYSA-N PubChem CID: 239603 IUPAC Name: 2,3-dimethoxyaniline SMILES: COC1=CC=CC(=C1OC)N
| PubChem CID | 239603 |
|---|---|
| CAS | 6299-67-8 |
| Molecular Weight (g/mol) | 153.181 |
| MDL Number | MFCD00180769 |
| SMILES | COC1=CC=CC(=C1OC)N |
| IUPAC Name | 2,3-dimethoxyaniline |
| InChI Key | HEZIOZBMPKPOER-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
3-Amino-4-methoxybenzanilide 98.0+%, TCI America™
CAS: 120-35-4 Molecular Formula: C14H14N2O2 Molecular Weight (g/mol): 242.278 MDL Number: MFCD00017166 InChI Key: LHMQDVIHBXWNII-UHFFFAOYSA-N Synonym: 3-amino-4-methoxybenzanilide,3-amino-p-anisanilide,benzamide, 3-amino-4-methoxy-n-phenyl,3-amino-4-methoxy benzanilide,benzanilide, 3-amino-4-methoxy,p-anisanilide, 3-amino,unii-v5y646aw8s,amba,3-amino-4-methoxy-n-phenyl-benzamide,3-amino-4-methoxyphenyl-n-benzamide PubChem CID: 8426 IUPAC Name: 3-amino-4-methoxy-N-phenylbenzamide SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N
| PubChem CID | 8426 |
|---|---|
| CAS | 120-35-4 |
| Molecular Weight (g/mol) | 242.278 |
| MDL Number | MFCD00017166 |
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N |
| Synonym | 3-amino-4-methoxybenzanilide,3-amino-p-anisanilide,benzamide, 3-amino-4-methoxy-n-phenyl,3-amino-4-methoxy benzanilide,benzanilide, 3-amino-4-methoxy,p-anisanilide, 3-amino,unii-v5y646aw8s,amba,3-amino-4-methoxy-n-phenyl-benzamide,3-amino-4-methoxyphenyl-n-benzamide |
| IUPAC Name | 3-amino-4-methoxy-N-phenylbenzamide |
| InChI Key | LHMQDVIHBXWNII-UHFFFAOYSA-N |
| Molecular Formula | C14H14N2O2 |
5-Mercapto-1-(4-methoxyphenyl)-1H-tetrazole 98.0+%, TCI America™
CAS: 13980-76-2 Molecular Formula: C8H8N4OS Molecular Weight (g/mol): 208.239 MDL Number: MFCD01321180 InChI Key: UFALKIBIWOKBDL-UHFFFAOYSA-N Synonym: 1-(4-Methoxyphenyl)-1H-tetrazole-5-thiol PubChem CID: 695766 IUPAC Name: 1-(4-methoxyphenyl)-2H-tetrazole-5-thione SMILES: COC1=CC=C(C=C1)N2C(=S)N=NN2
| PubChem CID | 695766 |
|---|---|
| CAS | 13980-76-2 |
| Molecular Weight (g/mol) | 208.239 |
| MDL Number | MFCD01321180 |
| SMILES | COC1=CC=C(C=C1)N2C(=S)N=NN2 |
| Synonym | 1-(4-Methoxyphenyl)-1H-tetrazole-5-thiol |
| IUPAC Name | 1-(4-methoxyphenyl)-2H-tetrazole-5-thione |
| InChI Key | UFALKIBIWOKBDL-UHFFFAOYSA-N |
| Molecular Formula | C8H8N4OS |
5-Amino-2,4-dichloroanisole 98.0+%, TCI America™
CAS: 98446-49-2 Molecular Formula: C7H7Cl2NO Molecular Weight (g/mol): 192.039 MDL Number: MFCD00974410 InChI Key: AJROJTARXSATEB-UHFFFAOYSA-N Synonym: 5-amino-2,4-dichloroanisole,2,4-dichloro-5-methoxybenzenamine,4,6-dichloro-m-anisidine,2,4-dichloro-5-methoxy-phenylamine,benzenamine, 2,4-dichloro-5-methoxy,2,4-dichloro-5-methoxyphenylamine,dichloromethoxyaniline,pubchem4393,acmc-209sae,4,5-dichloro-m-anisidine PubChem CID: 1476636 IUPAC Name: 2,4-dichloro-5-methoxyaniline SMILES: COC1=C(C=C(C(=C1)N)Cl)Cl
| PubChem CID | 1476636 |
|---|---|
| CAS | 98446-49-2 |
| Molecular Weight (g/mol) | 192.039 |
| MDL Number | MFCD00974410 |
| SMILES | COC1=C(C=C(C(=C1)N)Cl)Cl |
| Synonym | 5-amino-2,4-dichloroanisole,2,4-dichloro-5-methoxybenzenamine,4,6-dichloro-m-anisidine,2,4-dichloro-5-methoxy-phenylamine,benzenamine, 2,4-dichloro-5-methoxy,2,4-dichloro-5-methoxyphenylamine,dichloromethoxyaniline,pubchem4393,acmc-209sae,4,5-dichloro-m-anisidine |
| IUPAC Name | 2,4-dichloro-5-methoxyaniline |
| InChI Key | AJROJTARXSATEB-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2NO |
2,4-Dinitroaniline 99.0+%, TCI America™
CAS: 97-02-9 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007151 InChI Key: LXQOQPGNCGEELI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline PubChem CID: 7321 ChEBI: CHEBI:34242 IUPAC Name: 2,4-dinitroaniline SMILES: NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 7321 |
|---|---|
| CAS | 97-02-9 |
| Molecular Weight (g/mol) | 183.12 |
| ChEBI | CHEBI:34242 |
| MDL Number | MFCD00007151 |
| SMILES | NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| Synonym | benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline |
| IUPAC Name | 2,4-dinitroaniline |
| InChI Key | LXQOQPGNCGEELI-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3O4 |
Methyl 4-Bromo-3-nitrobenzoate 98.0+%, TCI America™
CAS: 2363-16-8 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.04 MDL Number: MFCD00553089 InChI Key: BNNDHGPPQZVKMX-UHFFFAOYSA-N Synonym: 4-Bromo-3-nitrobenzoic Acid Methyl Ester PubChem CID: 2736829 IUPAC Name: methyl 4-bromo-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O
| PubChem CID | 2736829 |
|---|---|
| CAS | 2363-16-8 |
| Molecular Weight (g/mol) | 260.04 |
| MDL Number | MFCD00553089 |
| SMILES | COC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O |
| Synonym | 4-Bromo-3-nitrobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 4-bromo-3-nitrobenzoate |
| InChI Key | BNNDHGPPQZVKMX-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO4 |
4-Nitrophthalic Acid 98.0+%, TCI America™
CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
| PubChem CID | 69121 |
|---|---|
| CAS | 610-27-5 |
| Molecular Weight (g/mol) | 211.129 |
| MDL Number | MFCD00007252 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O |
| Synonym | 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 |
| InChI Key | SLBQXWXKPNIVSQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |
2-Fluoro-5-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 7304-32-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00134238 InChI Key: ICXSHFWYCHJILC-UHFFFAOYSA-N Synonym: 2-fluoro-5-nitrobenzoic acid,2-fluoro-5-nitrobenzoicacid,2-fluoro-5-nitro-benzoic acid,benzoic acid, 2-fluoro-5-nitro,2-fluoro-5-nitro-benzoicacid,pubchem1307,acmc-209op6,ksc377e3h,2-fluoro-5-nitrobenzotc acid,2-fluoro-5-nitro benzoic acid PubChem CID: 280997 IUPAC Name: 2-fluoro-5-nitrobenzoic acid SMILES: OC(=O)C1=CC(=CC=C1F)[N+]([O-])=O
| PubChem CID | 280997 |
|---|---|
| CAS | 7304-32-7 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD00134238 |
| SMILES | OC(=O)C1=CC(=CC=C1F)[N+]([O-])=O |
| Synonym | 2-fluoro-5-nitrobenzoic acid,2-fluoro-5-nitrobenzoicacid,2-fluoro-5-nitro-benzoic acid,benzoic acid, 2-fluoro-5-nitro,2-fluoro-5-nitro-benzoicacid,pubchem1307,acmc-209op6,ksc377e3h,2-fluoro-5-nitrobenzotc acid,2-fluoro-5-nitro benzoic acid |
| IUPAC Name | 2-fluoro-5-nitrobenzoic acid |
| InChI Key | ICXSHFWYCHJILC-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |
4-Cyano-4'-undecylbiphenyl 98.0+%, TCI America™
CAS: 65860-74-4 Molecular Formula: C24H31N Molecular Weight (g/mol): 333.519 MDL Number: MFCD00505991 InChI Key: YIJBPYUXIFSTAP-UHFFFAOYSA-N Synonym: 4′C-Undecyl-4-biphenylcarbonitrile, 4′C-Undecyl-[1,1′C-biphenyl]-4-carbonitrile, 11CB PubChem CID: 105224 IUPAC Name: 4-(4-undecylphenyl)benzonitrile SMILES: CCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 105224 |
|---|---|
| CAS | 65860-74-4 |
| Molecular Weight (g/mol) | 333.519 |
| MDL Number | MFCD00505991 |
| SMILES | CCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4′C-Undecyl-4-biphenylcarbonitrile, 4′C-Undecyl-[1,1′C-biphenyl]-4-carbonitrile, 11CB |
| IUPAC Name | 4-(4-undecylphenyl)benzonitrile |
| InChI Key | YIJBPYUXIFSTAP-UHFFFAOYSA-N |
| Molecular Formula | C24H31N |
1,3,5-Tris(4-bromophenyl)benzene 98.0+%, TCI America™
CAS: 7511-49-1 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD00362911 InChI Key: HJQRITCAXSBOPC-UHFFFAOYSA-N Synonym: 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' PubChem CID: 232761 IUPAC Name: 1,3,5-tris(4-bromophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
| PubChem CID | 232761 |
|---|---|
| CAS | 7511-49-1 |
| Molecular Weight (g/mol) | 543.096 |
| MDL Number | MFCD00362911 |
| SMILES | C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br |
| Synonym | 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' |
| IUPAC Name | 1,3,5-tris(4-bromophenyl)benzene |
| InChI Key | HJQRITCAXSBOPC-UHFFFAOYSA-N |
| Molecular Formula | C24H15Br3 |