Benzene and substituted derivatives
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Tetrabutylammonium Salicylate 98.0+%, TCI America™
CAS: 22307-72-8 Molecular Formula: C23H41NO3 Molecular Weight (g/mol): 379.585 MDL Number: MFCD00145388 InChI Key: ZWRWGKGPUFESNE-UHFFFAOYSA-M PubChem CID: 54707142 IUPAC Name: 2-carboxyphenolate;tetrabutylazanium SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)C(=O)O)[O-]
| PubChem CID | 54707142 |
|---|---|
| CAS | 22307-72-8 |
| Molecular Weight (g/mol) | 379.585 |
| MDL Number | MFCD00145388 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)C(=O)O)[O-] |
| IUPAC Name | 2-carboxyphenolate;tetrabutylazanium |
| InChI Key | ZWRWGKGPUFESNE-UHFFFAOYSA-M |
| Molecular Formula | C23H41NO3 |
2,3,4,5-Tetrachlorobenzoic Acid 97.0+%, TCI America™
CAS: 50-74-8 Molecular Formula: C7H2Cl4O2 Molecular Weight (g/mol): 259.89 MDL Number: MFCD00061126 InChI Key: FUXMTEKFGUWSNC-UHFFFAOYSA-N PubChem CID: 5782 IUPAC Name: 2,3,4,5-tetrachlorobenzoic acid SMILES: OC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl
| PubChem CID | 5782 |
|---|---|
| CAS | 50-74-8 |
| Molecular Weight (g/mol) | 259.89 |
| MDL Number | MFCD00061126 |
| SMILES | OC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl |
| IUPAC Name | 2,3,4,5-tetrachlorobenzoic acid |
| InChI Key | FUXMTEKFGUWSNC-UHFFFAOYSA-N |
| Molecular Formula | C7H2Cl4O2 |
N-Benzyl-p-anisidine 98.0+%, TCI America™
CAS: 17377-95-6 Molecular Formula: C14H15NO Molecular Weight (g/mol): 213.28 MDL Number: MFCD00059298 InChI Key: LIJJGMDKVVOEFT-UHFFFAOYSA-N Synonym: n-benzyl-p-anisidine,n-4-methoxyphenyl-n-benzylamine,4-methoxyphenyl benzylamine,n-benzyl-para-anisidine,acmc-1bvsm,n-benzyl-p-methoxyaniline,cambridge id 5107549,n-benzyl-4-methoxy-aniline,n-4-methoxyphenyl benzylamine,n-4-methoxyphenyl benzyl amine PubChem CID: 519413 IUPAC Name: N-benzyl-4-methoxyaniline SMILES: COC1=CC=C(NCC2=CC=CC=C2)C=C1
| PubChem CID | 519413 |
|---|---|
| CAS | 17377-95-6 |
| Molecular Weight (g/mol) | 213.28 |
| MDL Number | MFCD00059298 |
| SMILES | COC1=CC=C(NCC2=CC=CC=C2)C=C1 |
| Synonym | n-benzyl-p-anisidine,n-4-methoxyphenyl-n-benzylamine,4-methoxyphenyl benzylamine,n-benzyl-para-anisidine,acmc-1bvsm,n-benzyl-p-methoxyaniline,cambridge id 5107549,n-benzyl-4-methoxy-aniline,n-4-methoxyphenyl benzylamine,n-4-methoxyphenyl benzyl amine |
| IUPAC Name | N-benzyl-4-methoxyaniline |
| InChI Key | LIJJGMDKVVOEFT-UHFFFAOYSA-N |
| Molecular Formula | C14H15NO |
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 |
3,4-Dimethoxyaniline 98.0+%, TCI America™
CAS: 6315-89-5 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.181 MDL Number: MFCD00008394 InChI Key: LGDHZCLREKIGKJ-UHFFFAOYSA-N Synonym: 4-aminoveratrole,benzenamine, 3,4-dimethoxy,4-aminoveratrol,3,4-dimethoxybenzenamine,2-methoxy-4-aminoanisole,3,4-dimethoxy aniline,aniline, 3,4-dimethoxy,3,4-dimethyloxy aniline,3,4-dimethoxy-phenylamine PubChem CID: 22770 IUPAC Name: 3,4-dimethoxyaniline SMILES: COC1=C(C=C(C=C1)N)OC
| PubChem CID | 22770 |
|---|---|
| CAS | 6315-89-5 |
| Molecular Weight (g/mol) | 153.181 |
| MDL Number | MFCD00008394 |
| SMILES | COC1=C(C=C(C=C1)N)OC |
| Synonym | 4-aminoveratrole,benzenamine, 3,4-dimethoxy,4-aminoveratrol,3,4-dimethoxybenzenamine,2-methoxy-4-aminoanisole,3,4-dimethoxy aniline,aniline, 3,4-dimethoxy,3,4-dimethyloxy aniline,3,4-dimethoxy-phenylamine |
| IUPAC Name | 3,4-dimethoxyaniline |
| InChI Key | LGDHZCLREKIGKJ-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
2,5-Difluorobenzoic Acid 98.0+%, TCI America™
CAS: 2991-28-8 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD00002410 InChI Key: LBQMIAVIGLLBGW-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-difluoro,2,5-difluorobenzoicacid,2,5-difluoro-benzoic acid,pubchem4935,2,5-difluorobenzic acid,acmc-1cj4a,ksc206g1b,rarechem al bo 0019,lbqmiavigllbgw-uhfffaoysa,2,5-difluorobenzoic acid PubChem CID: 76339 IUPAC Name: 2,5-difluorobenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)F
| PubChem CID | 76339 |
|---|---|
| CAS | 2991-28-8 |
| Molecular Weight (g/mol) | 158.104 |
| MDL Number | MFCD00002410 |
| SMILES | C1=CC(=C(C=C1F)C(=O)O)F |
| Synonym | benzoic acid, 2,5-difluoro,2,5-difluorobenzoicacid,2,5-difluoro-benzoic acid,pubchem4935,2,5-difluorobenzic acid,acmc-1cj4a,ksc206g1b,rarechem al bo 0019,lbqmiavigllbgw-uhfffaoysa,2,5-difluorobenzoic acid |
| IUPAC Name | 2,5-difluorobenzoic acid |
| InChI Key | LBQMIAVIGLLBGW-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O2 |
4,4'-Diethoxybiphenyl 99.0+%, TCI America™
CAS: 7168-54-9 Molecular Formula: C16H18O2 Molecular Weight (g/mol): 242.32 MDL Number: MFCD00026801 InChI Key: WTLUUYXFCHWUJK-UHFFFAOYSA-N Synonym: 4,4′C-Biphenetol PubChem CID: 617993 IUPAC Name: 4,4'-diethoxy-1,1'-biphenyl SMILES: CCOC1=CC=C(C=C1)C1=CC=C(OCC)C=C1
| PubChem CID | 617993 |
|---|---|
| CAS | 7168-54-9 |
| Molecular Weight (g/mol) | 242.32 |
| MDL Number | MFCD00026801 |
| SMILES | CCOC1=CC=C(C=C1)C1=CC=C(OCC)C=C1 |
| Synonym | 4,4′C-Biphenetol |
| IUPAC Name | 4,4'-diethoxy-1,1'-biphenyl |
| InChI Key | WTLUUYXFCHWUJK-UHFFFAOYSA-N |
| Molecular Formula | C16H18O2 |
4,4'-Difluorodiphenylmethane 99.0+%, TCI America™
CAS: 457-68-1 Molecular Formula: C13H10F2 Molecular Weight (g/mol): 204.22 MDL Number: MFCD00000360 InChI Key: DXQVFHQUHOFROC-UHFFFAOYSA-N Synonym: bis 4-fluorophenyl methane,4,4'-difluorodiphenylmethane,1,1'-methylenebis 4-fluorobenzene,1-fluoro-4-4-fluorophenyl methyl benzene,benzene, 1,1'-methylenebis 4-fluoro,4-fluoro-1-4-fluorophenyl methyl benzene,4,4'-difluorodiphenylamine,bis-4-fluorophenyl methane,4,4'-difluorodiphenyl methane,1,1-methylenebis 4-fluorobenzene PubChem CID: 96094 IUPAC Name: 1-fluoro-4-[(4-fluorophenyl)methyl]benzene SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)F)F
| PubChem CID | 96094 |
|---|---|
| CAS | 457-68-1 |
| Molecular Weight (g/mol) | 204.22 |
| MDL Number | MFCD00000360 |
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)F)F |
| Synonym | bis 4-fluorophenyl methane,4,4'-difluorodiphenylmethane,1,1'-methylenebis 4-fluorobenzene,1-fluoro-4-4-fluorophenyl methyl benzene,benzene, 1,1'-methylenebis 4-fluoro,4-fluoro-1-4-fluorophenyl methyl benzene,4,4'-difluorodiphenylamine,bis-4-fluorophenyl methane,4,4'-difluorodiphenyl methane,1,1-methylenebis 4-fluorobenzene |
| IUPAC Name | 1-fluoro-4-[(4-fluorophenyl)methyl]benzene |
| InChI Key | DXQVFHQUHOFROC-UHFFFAOYSA-N |
| Molecular Formula | C13H10F2 |
Methyl(diphenyl)phosphine Oxide 98.0+%, TCI America™
CAS: 2129-89-7 Molecular Formula: C13H13OP Molecular Weight (g/mol): 216.22 MDL Number: MFCD00002081 InChI Key: PEGCITODQASXKH-UHFFFAOYSA-N Synonym: methyldiphenylphosphine oxide,methyl diphenyl phosphine oxide,diphenylmethylphosphine oxide,phosphine oxide, methyldiphenyl,phosphine oxide, diphenylmethyl,methyl-phenylphosphoryl benzene,methyl phenyl phosphoryl benzene,methyl phenyl phosphoroso benzene,methyldiphenylphosphineoxide PubChem CID: 75041 IUPAC Name: [methyl(phenyl)phosphoroso]benzene SMILES: CP(=O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 75041 |
|---|---|
| CAS | 2129-89-7 |
| Molecular Weight (g/mol) | 216.22 |
| MDL Number | MFCD00002081 |
| SMILES | CP(=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methyldiphenylphosphine oxide,methyl diphenyl phosphine oxide,diphenylmethylphosphine oxide,phosphine oxide, methyldiphenyl,phosphine oxide, diphenylmethyl,methyl-phenylphosphoryl benzene,methyl phenyl phosphoryl benzene,methyl phenyl phosphoroso benzene,methyldiphenylphosphineoxide |
| IUPAC Name | [methyl(phenyl)phosphoroso]benzene |
| InChI Key | PEGCITODQASXKH-UHFFFAOYSA-N |
| Molecular Formula | C13H13OP |
Ethyl Di-o-tolylphosphonoacetate 95.0+%, TCI America™
CAS: 188945-41-7 Molecular Formula: C18H21O5P Molecular Weight (g/mol): 348.335 MDL Number: MFCD01321166 InChI Key: BOEGWWFFVZDOIH-UHFFFAOYSA-N Synonym: Di-o-tolylphosphonoacetic Acid Ethyl Ester PubChem CID: 10593815 IUPAC Name: ethyl 2-bis(2-methylphenoxy)phosphorylacetate SMILES: CCOC(=O)CP(=O)(OC1=CC=CC=C1C)OC2=CC=CC=C2C
| PubChem CID | 10593815 |
|---|---|
| CAS | 188945-41-7 |
| Molecular Weight (g/mol) | 348.335 |
| MDL Number | MFCD01321166 |
| SMILES | CCOC(=O)CP(=O)(OC1=CC=CC=C1C)OC2=CC=CC=C2C |
| Synonym | Di-o-tolylphosphonoacetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-bis(2-methylphenoxy)phosphorylacetate |
| InChI Key | BOEGWWFFVZDOIH-UHFFFAOYSA-N |
| Molecular Formula | C18H21O5P |
3,4-Diethoxybenzoic Acid 98.0+%, TCI America™
CAS: 5409-31-4 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00002504 InChI Key: VVKCVAPLTRZJHH-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-diethoxy,benzoicacid34diethoxy,3,4-diethoxy-benzoic acid,acmc-1apyn,ksc271i5p,3,4-bis ethyloxy benzoic acid,3,4-diethoxybenzoic acid PubChem CID: 79417 IUPAC Name: 3,4-diethoxybenzoic acid SMILES: CCOC1=C(C=C(C=C1)C(=O)O)OCC
| PubChem CID | 79417 |
|---|---|
| CAS | 5409-31-4 |
| Molecular Weight (g/mol) | 210.229 |
| MDL Number | MFCD00002504 |
| SMILES | CCOC1=C(C=C(C=C1)C(=O)O)OCC |
| Synonym | benzoic acid, 3,4-diethoxy,benzoicacid34diethoxy,3,4-diethoxy-benzoic acid,acmc-1apyn,ksc271i5p,3,4-bis ethyloxy benzoic acid,3,4-diethoxybenzoic acid |
| IUPAC Name | 3,4-diethoxybenzoic acid |
| InChI Key | VVKCVAPLTRZJHH-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |
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 |
1-(5-Fluoro-2,4-dinitrophenyl)-4-methylpiperazine 98.0+%, TCI America™
CAS: 928830-73-3 Molecular Formula: C11H13FN4O4 Molecular Weight (g/mol): 284.25 MDL Number: MFCD10000959 InChI Key: SSBAFRIGYXRBRK-UHFFFAOYSA-N Synonym: PPZ PubChem CID: 16223480 IUPAC Name: 1-(5-fluoro-2,4-dinitrophenyl)-4-methylpiperazine SMILES: CN1CCN(CC1)C1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 16223480 |
|---|---|
| CAS | 928830-73-3 |
| Molecular Weight (g/mol) | 284.25 |
| MDL Number | MFCD10000959 |
| SMILES | CN1CCN(CC1)C1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| Synonym | PPZ |
| IUPAC Name | 1-(5-fluoro-2,4-dinitrophenyl)-4-methylpiperazine |
| InChI Key | SSBAFRIGYXRBRK-UHFFFAOYSA-N |
| Molecular Formula | C11H13FN4O4 |