Benzene and substituted derivatives
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Ethyl 2,3,4,5-Tetrafluorobenzoate 98.0+%, TCI America™
CAS: 122894-73-9 Molecular Formula: C9H6F4O2 Molecular Weight (g/mol): 222.139 MDL Number: MFCD02094158 InChI Key: SBHMXBYMQZRRLC-UHFFFAOYSA-N Synonym: 2,3,4,5-tetrafluorobenzoic acid ethyl ester,2,3,4,5-tetrafluoro-benzoic acid ethyl ester,pubchem4072,acmc-1c5fu,ethyl2,3,4,5-tetrafluorobenzoate,2,3,4,5-tetrafluoro-benzoicacidethylester,ethyl 2,3,4,5-tetrakis fluoranyl benzoate PubChem CID: 2774395 IUPAC Name: ethyl 2,3,4,5-tetrafluorobenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1F)F)F)F
| PubChem CID | 2774395 |
|---|---|
| CAS | 122894-73-9 |
| Molecular Weight (g/mol) | 222.139 |
| MDL Number | MFCD02094158 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1F)F)F)F |
| Synonym | 2,3,4,5-tetrafluorobenzoic acid ethyl ester,2,3,4,5-tetrafluoro-benzoic acid ethyl ester,pubchem4072,acmc-1c5fu,ethyl2,3,4,5-tetrafluorobenzoate,2,3,4,5-tetrafluoro-benzoicacidethylester,ethyl 2,3,4,5-tetrakis fluoranyl benzoate |
| IUPAC Name | ethyl 2,3,4,5-tetrafluorobenzoate |
| InChI Key | SBHMXBYMQZRRLC-UHFFFAOYSA-N |
| Molecular Formula | C9H6F4O2 |
3',4',5-Trichlorosalicylanilide 98.0+%, TCI America™
CAS: 642-84-2 Molecular Formula: C13H8Cl3NO2 Molecular Weight (g/mol): 316.56 MDL Number: MFCD00059622 InChI Key: RSJBLPJKXGNMFW-UHFFFAOYSA-N PubChem CID: 69506 IUPAC Name: 5-chloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide SMILES: OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 69506 |
|---|---|
| CAS | 642-84-2 |
| Molecular Weight (g/mol) | 316.56 |
| MDL Number | MFCD00059622 |
| SMILES | OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(Cl)C(Cl)=C1 |
| IUPAC Name | 5-chloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide |
| InChI Key | RSJBLPJKXGNMFW-UHFFFAOYSA-N |
| Molecular Formula | C13H8Cl3NO2 |
2,6-Dihydroxybenzoic Acid 98.0+%, TCI America™
CAS: 303-07-1 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002462 InChI Key: AKEUNCKRJATALU-UHFFFAOYSA-N Synonym: gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid PubChem CID: 9338 ChEBI: CHEBI:68465 IUPAC Name: 2,6-dihydroxybenzoic acid SMILES: OC(=O)C1=C(O)C=CC=C1O
| PubChem CID | 9338 |
|---|---|
| CAS | 303-07-1 |
| Molecular Weight (g/mol) | 154.12 |
| ChEBI | CHEBI:68465 |
| MDL Number | MFCD00002462 |
| SMILES | OC(=O)C1=C(O)C=CC=C1O |
| Synonym | gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid |
| IUPAC Name | 2,6-dihydroxybenzoic acid |
| InChI Key | AKEUNCKRJATALU-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
Butyl Salicylate 99.0+%, TCI America™
CAS: 2052-14-4 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020038 InChI Key: YFDUWSBGVPBWKF-UHFFFAOYSA-N Synonym: Salicylic Acid Butyl Ester, 2-Hydroxybenzoic Acid Butyl Ester, Butyl 2-Hydroxybenzoate PubChem CID: 16330 IUPAC Name: butyl 2-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=CC=C1O
| PubChem CID | 16330 |
|---|---|
| CAS | 2052-14-4 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00020038 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1O |
| Synonym | Salicylic Acid Butyl Ester, 2-Hydroxybenzoic Acid Butyl Ester, Butyl 2-Hydroxybenzoate |
| IUPAC Name | butyl 2-hydroxybenzoate |
| InChI Key | YFDUWSBGVPBWKF-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Methyl Salicylate 99.0+%, TCI America™
CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002214 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N Synonym: methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester PubChem CID: 4133 ChEBI: CHEBI:31832 IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O
| PubChem CID | 4133 |
|---|---|
| CAS | 119-36-8 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:31832 |
| MDL Number | MFCD00002214 |
| SMILES | COC(=O)C1=CC=CC=C1O |
| Synonym | methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester |
| IUPAC Name | methyl 2-hydroxybenzoate |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
n-Octyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 1219-38-1 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 MDL Number: MFCD00016482 InChI Key: RIKCMEDSBFQFAL-UHFFFAOYSA-N Synonym: octylparaben,n-octyl 4-hydroxybenzoate,octyl paraben,octyl p-hydroxybenzoate,p-hydroxybenzoic acid octyl ester,benzoic acid, 4-hydroxy-, octyl ester,p-oxybenzoesaureoctylester,4-hydroxybenzoic acid n-octyl ester,unii-4uvk431k6b,p-oxybenzoesaureoctylester german PubChem CID: 14642 IUPAC Name: octyl 4-hydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC=C(O)C=C1
| PubChem CID | 14642 |
|---|---|
| CAS | 1219-38-1 |
| Molecular Weight (g/mol) | 250.34 |
| MDL Number | MFCD00016482 |
| SMILES | CCCCCCCCOC(=O)C1=CC=C(O)C=C1 |
| Synonym | octylparaben,n-octyl 4-hydroxybenzoate,octyl paraben,octyl p-hydroxybenzoate,p-hydroxybenzoic acid octyl ester,benzoic acid, 4-hydroxy-, octyl ester,p-oxybenzoesaureoctylester,4-hydroxybenzoic acid n-octyl ester,unii-4uvk431k6b,p-oxybenzoesaureoctylester german |
| IUPAC Name | octyl 4-hydroxybenzoate |
| InChI Key | RIKCMEDSBFQFAL-UHFFFAOYSA-N |
| Molecular Formula | C15H22O3 |
Tris(triphenylphosphine)rhodium(I) Chloride 98.0+%, TCI America™
CAS: 14694-95-2 Molecular Formula: C54H45ClP3Rh Molecular Weight (g/mol): 925.23 MDL Number: MFCD00010016 InChI Key: IXAYKDDZKIZSPV-UHFFFAOYSA-M Synonym: chlorotris triphenylphosphine rhodium i,chlorotris triphenylphosphine rhodium,tris triphenylphosphine rhodium i chloride,tris triphenylphosphine chlororhodium,wilkinson's catalyst,unii-0fv534bkev,tris triphenylphosphine rhodium chloride,0fv534bkev,rhodium; triphenylphosphane; chloride PubChem CID: 84599 IUPAC Name: λ¹-rhodium(1+) tris(triphenylphosphane) chloride SMILES: [Cl-].[Rh+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 84599 |
|---|---|
| CAS | 14694-95-2 |
| Molecular Weight (g/mol) | 925.23 |
| MDL Number | MFCD00010016 |
| SMILES | [Cl-].[Rh+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | chlorotris triphenylphosphine rhodium i,chlorotris triphenylphosphine rhodium,tris triphenylphosphine rhodium i chloride,tris triphenylphosphine chlororhodium,wilkinson's catalyst,unii-0fv534bkev,tris triphenylphosphine rhodium chloride,0fv534bkev,rhodium; triphenylphosphane; chloride |
| IUPAC Name | λ¹-rhodium(1+) tris(triphenylphosphane) chloride |
| InChI Key | IXAYKDDZKIZSPV-UHFFFAOYSA-M |
| Molecular Formula | C54H45ClP3Rh |
p-Tolyldiethanolamine 98.0+%, TCI America™
CAS: 3077-12-1 Molecular Formula: C11H17NO2 Molecular Weight (g/mol): 195.26 MDL Number: MFCD00020580 InChI Key: JUVSRZCUMWZBFK-UHFFFAOYSA-N PubChem CID: 76497 IUPAC Name: 2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol SMILES: CC1=CC=C(C=C1)N(CCO)CCO
| PubChem CID | 76497 |
|---|---|
| CAS | 3077-12-1 |
| Molecular Weight (g/mol) | 195.26 |
| MDL Number | MFCD00020580 |
| SMILES | CC1=CC=C(C=C1)N(CCO)CCO |
| IUPAC Name | 2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol |
| InChI Key | JUVSRZCUMWZBFK-UHFFFAOYSA-N |
| Molecular Formula | C11H17NO2 |
o-Tolidine Dihydrochloride 98.0+%, TCI America™
CAS: 612-82-8 Molecular Formula: C14H18Cl2N2 Molecular Weight (g/mol): 285.212 MDL Number: MFCD00012960 InChI Key: LUKPNZHXJRJBAN-UHFFFAOYSA-N Synonym: 3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl PubChem CID: 108938 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl
| PubChem CID | 108938 |
|---|---|
| CAS | 612-82-8 |
| Molecular Weight (g/mol) | 285.212 |
| MDL Number | MFCD00012960 |
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl |
| Synonym | 3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl |
| IUPAC Name | 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride |
| InChI Key | LUKPNZHXJRJBAN-UHFFFAOYSA-N |
| Molecular Formula | C14H18Cl2N2 |
2-Methyl-4-nitroaniline 99.0+%, TCI America™
CAS: 99-52-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007734 InChI Key: XTTIQGSLJBWVIV-UHFFFAOYSA-N Synonym: 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl PubChem CID: 7441 IUPAC Name: 2-methyl-4-nitroaniline SMILES: CC1=CC(=CC=C1N)[N+]([O-])=O
| PubChem CID | 7441 |
|---|---|
| CAS | 99-52-5 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00007734 |
| SMILES | CC1=CC(=CC=C1N)[N+]([O-])=O |
| Synonym | 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl |
| IUPAC Name | 2-methyl-4-nitroaniline |
| InChI Key | XTTIQGSLJBWVIV-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
Propyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7175 |
|---|---|
| CAS | 94-13-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:32063 |
| MDL Number | MFCD00002354 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Isobutyl Salicylate 99.0+%, TCI America™
CAS: 87-19-4 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020035 InChI Key: PTXDBYSCVQQBNF-UHFFFAOYSA-N Synonym: 2-Hydroxybenzoic Acid Isobutyl Ester, Salicylic Acid Isobutyl Ester PubChem CID: 6873 IUPAC Name: 2-methylpropyl 2-hydroxybenzoate SMILES: CC(C)COC(=O)C1=CC=CC=C1O
| PubChem CID | 6873 |
|---|---|
| CAS | 87-19-4 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00020035 |
| SMILES | CC(C)COC(=O)C1=CC=CC=C1O |
| Synonym | 2-Hydroxybenzoic Acid Isobutyl Ester, Salicylic Acid Isobutyl Ester |
| IUPAC Name | 2-methylpropyl 2-hydroxybenzoate |
| InChI Key | PTXDBYSCVQQBNF-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
2-Methyl-6-nitroaniline 99.0+%, TCI America™
CAS: 570-24-1 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007744 InChI Key: FCMRHMPITHLLLA-UHFFFAOYSA-N Synonym: 6-nitro-o-toluidine,2-amino-3-nitrotoluene,benzenamine, 2-methyl-6-nitro,2-methyl-6-nitrobenzenamine,6-methyl-2-nitroaniline,1-amino-2-methyl-6-nitrobenzene,unii-oup165ykbc,3-nitro-2-aminotoluene,2-nitro-6-methylaniline,oup165ykbc PubChem CID: 11298 IUPAC Name: 2-methyl-6-nitroaniline SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])N
| PubChem CID | 11298 |
|---|---|
| CAS | 570-24-1 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00007744 |
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])N |
| Synonym | 6-nitro-o-toluidine,2-amino-3-nitrotoluene,benzenamine, 2-methyl-6-nitro,2-methyl-6-nitrobenzenamine,6-methyl-2-nitroaniline,1-amino-2-methyl-6-nitrobenzene,unii-oup165ykbc,3-nitro-2-aminotoluene,2-nitro-6-methylaniline,oup165ykbc |
| IUPAC Name | 2-methyl-6-nitroaniline |
| InChI Key | FCMRHMPITHLLLA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
2-Methyl-5-nitroaniline 98.0+%, TCI America™
CAS: 99-55-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007741 InChI Key: DSBIJCMXAIKKKI-UHFFFAOYSA-N Synonym: 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp PubChem CID: 7444 ChEBI: CHEBI:66891 IUPAC Name: 2-methyl-5-nitroaniline SMILES: CC1=CC=C(C=C1N)[N+]([O-])=O
| PubChem CID | 7444 |
|---|---|
| CAS | 99-55-8 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:66891 |
| MDL Number | MFCD00007741 |
| SMILES | CC1=CC=C(C=C1N)[N+]([O-])=O |
| Synonym | 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp |
| IUPAC Name | 2-methyl-5-nitroaniline |
| InChI Key | DSBIJCMXAIKKKI-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
2,3,4,5-Tetrachlorobenzoyl Chloride 98.0+%, TCI America™
CAS: 42221-52-3 Molecular Formula: C7HCl5O Molecular Weight (g/mol): 278.33 MDL Number: MFCD08460213 InChI Key: IROWIXYGGPOJFJ-UHFFFAOYSA-N PubChem CID: 5463797 IUPAC Name: 2,3,4,5-tetrachlorobenzoyl chloride SMILES: ClC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl
| PubChem CID | 5463797 |
|---|---|
| CAS | 42221-52-3 |
| Molecular Weight (g/mol) | 278.33 |
| MDL Number | MFCD08460213 |
| SMILES | ClC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl |
| IUPAC Name | 2,3,4,5-tetrachlorobenzoyl chloride |
| InChI Key | IROWIXYGGPOJFJ-UHFFFAOYSA-N |
| Molecular Formula | C7HCl5O |