Benzene and substituted derivatives
Filtered Search Results
1-Methyl 2-Aminoterephthalate 98.0+%, TCI America™
CAS: 60728-41-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00189374 InChI Key: QKOKLMFCKLEFDV-UHFFFAOYSA-N Synonym: 3-Amino-4-carbomethoxybenzoic Acid, 3-Amino-4-methoxycarbonylbenzoic Acid, 2-Aminoterephthalic Acid 1-Methyl Ester PubChem CID: 5235500 IUPAC Name: 3-amino-4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=C(C=C(C=C1)C(=O)O)N
| PubChem CID | 5235500 |
|---|---|
| CAS | 60728-41-8 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00189374 |
| SMILES | COC(=O)C1=C(C=C(C=C1)C(=O)O)N |
| Synonym | 3-Amino-4-carbomethoxybenzoic Acid, 3-Amino-4-methoxycarbonylbenzoic Acid, 2-Aminoterephthalic Acid 1-Methyl Ester |
| IUPAC Name | 3-amino-4-methoxycarbonylbenzoic acid |
| InChI Key | QKOKLMFCKLEFDV-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
3,4-Difluorotoluene 98.0+%, TCI America™
CAS: 2927-34-6 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.12 MDL Number: MFCD00075087 InChI Key: FZMPLKVGINKUJZ-UHFFFAOYSA-N PubChem CID: 2733400 IUPAC Name: 1,2-difluoro-4-methylbenzene SMILES: CC1=CC=C(F)C(F)=C1
| PubChem CID | 2733400 |
|---|---|
| CAS | 2927-34-6 |
| Molecular Weight (g/mol) | 128.12 |
| MDL Number | MFCD00075087 |
| SMILES | CC1=CC=C(F)C(F)=C1 |
| IUPAC Name | 1,2-difluoro-4-methylbenzene |
| InChI Key | FZMPLKVGINKUJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2 |
4-Formylbenzonitrile 98.0+%, TCI America™
CAS: 105-07-7 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00003376 InChI Key: WZWIQYMTQZCSKI-UHFFFAOYSA-N Synonym: 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile PubChem CID: 66042 IUPAC Name: 4-formylbenzonitrile SMILES: O=CC1=CC=C(C=C1)C#N
| PubChem CID | 66042 |
|---|---|
| CAS | 105-07-7 |
| Molecular Weight (g/mol) | 131.13 |
| MDL Number | MFCD00003376 |
| SMILES | O=CC1=CC=C(C=C1)C#N |
| Synonym | 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile |
| IUPAC Name | 4-formylbenzonitrile |
| InChI Key | WZWIQYMTQZCSKI-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO |
2-Chloro-5-methylaniline 98.0+%, TCI America™
CAS: 95-81-8 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.60 MDL Number: MFCD00007674 InChI Key: HPSCXFOQUFPEPE-UHFFFAOYSA-N Synonym: benzenamine, 2-chloro-5-methyl,6-chloro-m-toluidine,3-amino-4-chlorotoluene,2-chlor-5-methyl-aniline,2-chloro-5-methylbenzenamine,2-chloro-5-methylphenylamine,ccris 2888,2-chloro-5-methyl aniline,6-chlor-meta-toluidin,pubchem18921 PubChem CID: 66770 IUPAC Name: 2-chloro-5-methylaniline SMILES: CC1=CC=C(Cl)C(N)=C1
| PubChem CID | 66770 |
|---|---|
| CAS | 95-81-8 |
| Molecular Weight (g/mol) | 141.60 |
| MDL Number | MFCD00007674 |
| SMILES | CC1=CC=C(Cl)C(N)=C1 |
| Synonym | benzenamine, 2-chloro-5-methyl,6-chloro-m-toluidine,3-amino-4-chlorotoluene,2-chlor-5-methyl-aniline,2-chloro-5-methylbenzenamine,2-chloro-5-methylphenylamine,ccris 2888,2-chloro-5-methyl aniline,6-chlor-meta-toluidin,pubchem18921 |
| IUPAC Name | 2-chloro-5-methylaniline |
| InChI Key | HPSCXFOQUFPEPE-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
3-Chlorobenzoic Acid 99.0+%, TCI America™
CAS: 535-80-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002491 InChI Key: LULAYUGMBFYYEX-UHFFFAOYSA-N Synonym: m-chlorobenzoic acid,benzoic acid, 3-chloro,benzoic acid, m-chloro,3-chlorobenzoicacid,3-chloro-benzoic acid,m-chlorobenzoate,acido m-clorobenzoico,unii-02uoj7064k,mcba,ccris 5992 PubChem CID: 447 ChEBI: CHEBI:49410 IUPAC Name: 3-chlorobenzoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)O
| PubChem CID | 447 |
|---|---|
| CAS | 535-80-8 |
| Molecular Weight (g/mol) | 156.565 |
| ChEBI | CHEBI:49410 |
| MDL Number | MFCD00002491 |
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)O |
| Synonym | m-chlorobenzoic acid,benzoic acid, 3-chloro,benzoic acid, m-chloro,3-chlorobenzoicacid,3-chloro-benzoic acid,m-chlorobenzoate,acido m-clorobenzoico,unii-02uoj7064k,mcba,ccris 5992 |
| IUPAC Name | 3-chlorobenzoic acid |
| InChI Key | LULAYUGMBFYYEX-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
p-Toluenesulfonic Anhydride 95.0+%, TCI America™
CAS: 4124-41-8 Molecular Formula: C14H14O5S2 Molecular Weight (g/mol): 326.381 MDL Number: MFCD00008548 InChI Key: PDVFSPNIEOYOQL-UHFFFAOYSA-N Synonym: p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride PubChem CID: 77773 IUPAC Name: (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C
| PubChem CID | 77773 |
|---|---|
| CAS | 4124-41-8 |
| Molecular Weight (g/mol) | 326.381 |
| MDL Number | MFCD00008548 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C |
| Synonym | p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride |
| IUPAC Name | (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate |
| InChI Key | PDVFSPNIEOYOQL-UHFFFAOYSA-N |
| Molecular Formula | C14H14O5S2 |
Methyl 4-Iodo-3-methylbenzoate 98.0+%, TCI America™
CAS: 5471-81-8 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 MDL Number: MFCD02683863 InChI Key: HCSGWQGKCVQIRM-UHFFFAOYSA-N Synonym: 4-iodo-3-methylbenzoic acid methyl ester,methyl 4-iodo-3-methyl-benzoate,4-iodo-m-toluic acid methyl ester,benzoic acid, 4-iodo-3-methyl-, methyl ester,methyl4-iodo-3-methylbenzoate,acmc-1anqa,methyl 4-iodo-m-toluate,methyl 3methyl-4-iodobenzoate,methyl 3-methyl-4-iodobenzoate,4-iodo-m-toluic acid, methyl ester PubChem CID: 231757 IUPAC Name: methyl 4-iodo-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)I
| PubChem CID | 231757 |
|---|---|
| CAS | 5471-81-8 |
| Molecular Weight (g/mol) | 276.073 |
| MDL Number | MFCD02683863 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)I |
| Synonym | 4-iodo-3-methylbenzoic acid methyl ester,methyl 4-iodo-3-methyl-benzoate,4-iodo-m-toluic acid methyl ester,benzoic acid, 4-iodo-3-methyl-, methyl ester,methyl4-iodo-3-methylbenzoate,acmc-1anqa,methyl 4-iodo-m-toluate,methyl 3methyl-4-iodobenzoate,methyl 3-methyl-4-iodobenzoate,4-iodo-m-toluic acid, methyl ester |
| IUPAC Name | methyl 4-iodo-3-methylbenzoate |
| InChI Key | HCSGWQGKCVQIRM-UHFFFAOYSA-N |
| Molecular Formula | C9H9IO2 |
Ritodrine Hydrochloride 98.0+%, TCI America™
CAS: 23239-51-2 Molecular Formula: C17H22ClNO3 Molecular Weight (g/mol): 323.82 MDL Number: MFCD01657514 InChI Key: IDLSITKDRVDKRV-XHXSRVRCSA-N Synonym: N-(4-Hydroxyphenethyl)-4-hydroxynorephedrine Hydrochloride PubChem CID: 46911860 IUPAC Name: hydrogen 4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol chloride SMILES: [H+].[Cl-].C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1
| PubChem CID | 46911860 |
|---|---|
| CAS | 23239-51-2 |
| Molecular Weight (g/mol) | 323.82 |
| MDL Number | MFCD01657514 |
| SMILES | [H+].[Cl-].C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1 |
| Synonym | N-(4-Hydroxyphenethyl)-4-hydroxynorephedrine Hydrochloride |
| IUPAC Name | hydrogen 4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol chloride |
| InChI Key | IDLSITKDRVDKRV-XHXSRVRCSA-N |
| Molecular Formula | C17H22ClNO3 |
3-Bromo-2-fluorobenzoic Acid 98.0+%, TCI America™
CAS: 161957-56-8 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00665763 InChI Key: UVKURTLVTLRSSM-UHFFFAOYSA-N Synonym: 3-bromo-2-fluoro-benzoic acid,3-bromo-2-fluorobenzoicacid,2-fluoro-3-bromobenzoic acid,benzoic acid, 3-bromo-2-fluoro,3-bromo-2-fluoro benzoic acid,buttpark 14\01-30,3-bromo-2-fluorobenzenecarboxylic acid,pubchem1318,acmc-209dnk,intermediates-zcf02220 PubChem CID: 2736313 IUPAC Name: 3-bromo-2-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)Br)F)C(=O)O
| PubChem CID | 2736313 |
|---|---|
| CAS | 161957-56-8 |
| Molecular Weight (g/mol) | 219.009 |
| MDL Number | MFCD00665763 |
| SMILES | C1=CC(=C(C(=C1)Br)F)C(=O)O |
| Synonym | 3-bromo-2-fluoro-benzoic acid,3-bromo-2-fluorobenzoicacid,2-fluoro-3-bromobenzoic acid,benzoic acid, 3-bromo-2-fluoro,3-bromo-2-fluoro benzoic acid,buttpark 14\01-30,3-bromo-2-fluorobenzenecarboxylic acid,pubchem1318,acmc-209dnk,intermediates-zcf02220 |
| IUPAC Name | 3-bromo-2-fluorobenzoic acid |
| InChI Key | UVKURTLVTLRSSM-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO2 |
1-Ethynyl-4-propylbenzene 96.0+%, TCI America™
CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C
| PubChem CID | 2775133 |
|---|---|
| CAS | 62452-73-7 |
| Molecular Weight (g/mol) | 144.217 |
| MDL Number | MFCD00173886 |
| SMILES | CCCC1=CC=C(C=C1)C#C |
| Synonym | 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene |
| IUPAC Name | 1-ethynyl-4-propylbenzene |
| InChI Key | UVFFOABHOIMLNB-UHFFFAOYSA-N |
| Molecular Formula | C11H12 |
2'-Bromo-5'-phenyl-1,1':3',1″-terphenyl 98.0+%, TCI America™
CAS: 10368-73-7 Molecular Formula: C24H17Br Molecular Weight (g/mol): 385.30 MDL Number: MFCD00092320 InChI Key: JQAGNDRJKSDTEU-UHFFFAOYSA-N Synonym: 2-Bromo-1,3,5-triphenylbenzene, 2′-Bromo-5′-phenyl-m-terphenyl PubChem CID: 292152 IUPAC Name: 2-bromo-3,5-diphenyl-1,1'-biphenyl SMILES: BrC1=C(C=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 292152 |
|---|---|
| CAS | 10368-73-7 |
| Molecular Weight (g/mol) | 385.30 |
| MDL Number | MFCD00092320 |
| SMILES | BrC1=C(C=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-Bromo-1,3,5-triphenylbenzene, 2′-Bromo-5′-phenyl-m-terphenyl |
| IUPAC Name | 2-bromo-3,5-diphenyl-1,1'-biphenyl |
| InChI Key | JQAGNDRJKSDTEU-UHFFFAOYSA-N |
| Molecular Formula | C24H17Br |
1-Benzyloxy-4-iodobenzene 98.0+%, TCI America™
CAS: 19578-68-8 Molecular Formula: C13H11IO Molecular Weight (g/mol): 310.134 MDL Number: MFCD00079704 InChI Key: MPWFGAWFTAZWKZ-UHFFFAOYSA-N PubChem CID: 519671 IUPAC Name: 1-iodo-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)I
| PubChem CID | 519671 |
|---|---|
| CAS | 19578-68-8 |
| Molecular Weight (g/mol) | 310.134 |
| MDL Number | MFCD00079704 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)I |
| IUPAC Name | 1-iodo-4-phenylmethoxybenzene |
| InChI Key | MPWFGAWFTAZWKZ-UHFFFAOYSA-N |
| Molecular Formula | C13H11IO |
Tripropyl Trimellitate 97.0+%, TCI America™
CAS: 1528-53-6 Molecular Formula: C18H24O6 Molecular Weight (g/mol): 336.384 MDL Number: MFCD00191686 InChI Key: QEUYMNVHNSOBRS-UHFFFAOYSA-N Synonym: 1,2,4-Benzenetricarboxylic Acid Tripropyl Ester, Trimellitic Acid Tripropyl Ester PubChem CID: 15920120 IUPAC Name: tripropyl benzene-1,2,4-tricarboxylate SMILES: CCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCC)C(=O)OCCC
| PubChem CID | 15920120 |
|---|---|
| CAS | 1528-53-6 |
| Molecular Weight (g/mol) | 336.384 |
| MDL Number | MFCD00191686 |
| SMILES | CCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCC)C(=O)OCCC |
| Synonym | 1,2,4-Benzenetricarboxylic Acid Tripropyl Ester, Trimellitic Acid Tripropyl Ester |
| IUPAC Name | tripropyl benzene-1,2,4-tricarboxylate |
| InChI Key | QEUYMNVHNSOBRS-UHFFFAOYSA-N |
| Molecular Formula | C18H24O6 |
1,3-Bis[4-(trifluoromethyl)phenyl]thiourea 97.0+%, TCI America™
CAS: 1744-07-6 Molecular Formula: C15H10F6N2S Molecular Weight (g/mol): 364.309 InChI Key: ABYZUZQRUYXHCW-UHFFFAOYSA-N PubChem CID: 19743454 IUPAC Name: 1,3-bis[4-(trifluoromethyl)phenyl]thiourea SMILES: C1=CC(=CC=C1C(F)(F)F)NC(=S)NC2=CC=C(C=C2)C(F)(F)F
| PubChem CID | 19743454 |
|---|---|
| CAS | 1744-07-6 |
| Molecular Weight (g/mol) | 364.309 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)NC(=S)NC2=CC=C(C=C2)C(F)(F)F |
| IUPAC Name | 1,3-bis[4-(trifluoromethyl)phenyl]thiourea |
| InChI Key | ABYZUZQRUYXHCW-UHFFFAOYSA-N |
| Molecular Formula | C15H10F6N2S |
Benzyl Butyl Ether 95.0+%, TCI America™
CAS: 588-67-0 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.25 MDL Number: MFCD00039954 InChI Key: MAYUYFCAPVDYBQ-UHFFFAOYSA-N Synonym: benzyl butyl ether,ether, benzyl butyl,butyl benzyl ether,benzyl n-butyl ether,benzene, butoxymethyl,butoxymethyl benzene,n-butyl benzyl ether,unii-8483x8zo8n,ether, benzyl n-butyl,butoxyphenylmethane PubChem CID: 61134 IUPAC Name: (butoxymethyl)benzene SMILES: CCCCOCC1=CC=CC=C1
| PubChem CID | 61134 |
|---|---|
| CAS | 588-67-0 |
| Molecular Weight (g/mol) | 164.25 |
| MDL Number | MFCD00039954 |
| SMILES | CCCCOCC1=CC=CC=C1 |
| Synonym | benzyl butyl ether,ether, benzyl butyl,butyl benzyl ether,benzyl n-butyl ether,benzene, butoxymethyl,butoxymethyl benzene,n-butyl benzyl ether,unii-8483x8zo8n,ether, benzyl n-butyl,butoxyphenylmethane |
| IUPAC Name | (butoxymethyl)benzene |
| InChI Key | MAYUYFCAPVDYBQ-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |