Benzene and substituted derivatives
Filtered Search Results
Aminopterin Hydrate 97.0+%, TCI America™
CAS: 54-62-6 Molecular Formula: C19H20N8O5 Molecular Weight (g/mol): 440.42 MDL Number: MFCD00036692 InChI Key: TVZGACDUOSZQKY-LBPRGKRZSA-N Synonym: 4-Aminofolic Acid, 4-Amino-PGA, 4-Aminopteroyl-L-glutamic Acid PubChem CID: 169371 ChEBI: CHEBI:22526 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
| PubChem CID | 169371 |
|---|---|
| CAS | 54-62-6 |
| Molecular Weight (g/mol) | 440.42 |
| ChEBI | CHEBI:22526 |
| MDL Number | MFCD00036692 |
| SMILES | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| Synonym | 4-Aminofolic Acid, 4-Amino-PGA, 4-Aminopteroyl-L-glutamic Acid |
| IUPAC Name | (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
| InChI Key | TVZGACDUOSZQKY-LBPRGKRZSA-N |
| Molecular Formula | C19H20N8O5 |
N-(o-Toluoyl)glycine 98.0+%, TCI America™
CAS: 42013-20-7 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00050991 InChI Key: YOEBAVRJHRCKRE-UHFFFAOYSA-N Synonym: 2-Methylhippuric Acid, N-(2-Methylbenzoyl)glycine PubChem CID: 91637 ChEBI: CHEBI:68455 IUPAC Name: 2-[(2-methylbenzoyl)amino]acetic acid SMILES: CC1=CC=CC=C1C(=O)NCC(=O)O
| PubChem CID | 91637 |
|---|---|
| CAS | 42013-20-7 |
| Molecular Weight (g/mol) | 193.202 |
| ChEBI | CHEBI:68455 |
| MDL Number | MFCD00050991 |
| SMILES | CC1=CC=CC=C1C(=O)NCC(=O)O |
| Synonym | 2-Methylhippuric Acid, N-(2-Methylbenzoyl)glycine |
| IUPAC Name | 2-[(2-methylbenzoyl)amino]acetic acid |
| InChI Key | YOEBAVRJHRCKRE-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
3-Methylbenzyl Alcohol 98.0+%, TCI America™
CAS: 587-03-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004646 InChI Key: JJCKHVUTVOPLBV-UHFFFAOYSA-N Synonym: 3-methylbenzyl alcohol,3-methylphenyl methanol,m-tolyl carbinol,m-tolylmethanol,benzenemethanol, 3-methyl,unii-ttg38p37u6,m-methylbenzyl alcohol,3-methylbenzylalcohol,m-methyl benzyl alcohol,3-methyl-benzenemethanol PubChem CID: 11476 ChEBI: CHEBI:27995 IUPAC Name: (3-methylphenyl)methanol SMILES: CC1=CC(=CC=C1)CO
| PubChem CID | 11476 |
|---|---|
| CAS | 587-03-1 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:27995 |
| MDL Number | MFCD00004646 |
| SMILES | CC1=CC(=CC=C1)CO |
| Synonym | 3-methylbenzyl alcohol,3-methylphenyl methanol,m-tolyl carbinol,m-tolylmethanol,benzenemethanol, 3-methyl,unii-ttg38p37u6,m-methylbenzyl alcohol,3-methylbenzylalcohol,m-methyl benzyl alcohol,3-methyl-benzenemethanol |
| IUPAC Name | (3-methylphenyl)methanol |
| InChI Key | JJCKHVUTVOPLBV-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
4-Methoxyphenylhydrazine Hydrochloride 98.0+%, TCI America™
CAS: 19501-58-7 Molecular Formula: C7H11ClN2O Molecular Weight (g/mol): 174.628 MDL Number: MFCD00012945 InChI Key: FQHCPFMTXFJZJS-UHFFFAOYSA-N Synonym: 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride PubChem CID: 2723904 IUPAC Name: (4-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=C(C=C1)NN.Cl
| PubChem CID | 2723904 |
|---|---|
| CAS | 19501-58-7 |
| Molecular Weight (g/mol) | 174.628 |
| MDL Number | MFCD00012945 |
| SMILES | COC1=CC=C(C=C1)NN.Cl |
| Synonym | 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride |
| IUPAC Name | (4-methoxyphenyl)hydrazine;hydrochloride |
| InChI Key | FQHCPFMTXFJZJS-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O |
4-Methylbenzotrifluoride 98.0+%, TCI America™
CAS: 6140-17-6 Molecular Formula: C8H7F3 Molecular Weight (g/mol): 160.139 MDL Number: MFCD00075476 InChI Key: LRLRAYMYEXQKID-UHFFFAOYSA-N Synonym: 4-methylbenzotrifluoride,1-methyl-4-trifluoromethyl benzene,4-trifluoromethyl toluene,p-methylbenzotrifluoride,alpha,alpha,alpha-trifluoro-p-xylene,benzene, 1-methyl-4-trifluoromethyl,4-methyl-1-trifluoromethyl benzene,1-methyl-4-trifluormethyl benzol,pubchem1659,p-trifluoromethyltoluene PubChem CID: 80230 IUPAC Name: 1-methyl-4-(trifluoromethyl)benzene SMILES: CC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 80230 |
|---|---|
| CAS | 6140-17-6 |
| Molecular Weight (g/mol) | 160.139 |
| MDL Number | MFCD00075476 |
| SMILES | CC1=CC=C(C=C1)C(F)(F)F |
| Synonym | 4-methylbenzotrifluoride,1-methyl-4-trifluoromethyl benzene,4-trifluoromethyl toluene,p-methylbenzotrifluoride,alpha,alpha,alpha-trifluoro-p-xylene,benzene, 1-methyl-4-trifluoromethyl,4-methyl-1-trifluoromethyl benzene,1-methyl-4-trifluormethyl benzol,pubchem1659,p-trifluoromethyltoluene |
| IUPAC Name | 1-methyl-4-(trifluoromethyl)benzene |
| InChI Key | LRLRAYMYEXQKID-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3 |
N-(4-Methoxybenzylidene)-4-butylaniline 98.0+%, TCI America™
CAS: 26227-73-6 Molecular Formula: C18H21NO Molecular Weight (g/mol): 267.37 MDL Number: MFCD00009464 InChI Key: FEIWNULTQYHCDN-UHFFFAOYSA-N Synonym: mbba,n-4-methoxybenzylidene-4-butylaniline,n-p-methoxybenzylidene-p-butylaniline,unii-s586t4jync,benzenamine, 4-butyl-n-4-methoxyphenyl methylene,4-methoxybenzylidene-4'-n-butylaniline,ccris 4668,unii-gew7i7nn51,4-butyl-n-4-methoxyphenyl methylene benzenamine,gew7i7nn51 PubChem CID: 33363 IUPAC Name: N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine SMILES: CCCCC1=CC=C(C=C1)N=CC1=CC=C(OC)C=C1
| PubChem CID | 33363 |
|---|---|
| CAS | 26227-73-6 |
| Molecular Weight (g/mol) | 267.37 |
| MDL Number | MFCD00009464 |
| SMILES | CCCCC1=CC=C(C=C1)N=CC1=CC=C(OC)C=C1 |
| Synonym | mbba,n-4-methoxybenzylidene-4-butylaniline,n-p-methoxybenzylidene-p-butylaniline,unii-s586t4jync,benzenamine, 4-butyl-n-4-methoxyphenyl methylene,4-methoxybenzylidene-4'-n-butylaniline,ccris 4668,unii-gew7i7nn51,4-butyl-n-4-methoxyphenyl methylene benzenamine,gew7i7nn51 |
| IUPAC Name | N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine |
| InChI Key | FEIWNULTQYHCDN-UHFFFAOYSA-N |
| Molecular Formula | C18H21NO |
Capsaicin (Natural) 60.0+%, TCI America™
CAS: 404-86-4 Molecular Formula: C18H27NO3 Molecular Weight (g/mol): 305.418 MDL Number: MFCD00017259 InChI Key: YKPUWZUDDOIDPM-SOFGYWHQSA-N Synonym: capsaicin,zostrix,capsaicine,e-capsaicin,qutenza,styptysat,axsain,isodecenoic acid vanillylamide,trans-8-methyl-n-vanillyl-6-nonenamide PubChem CID: 1548943 ChEBI: CHEBI:3374 IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
| PubChem CID | 1548943 |
|---|---|
| CAS | 404-86-4 |
| Molecular Weight (g/mol) | 305.418 |
| ChEBI | CHEBI:3374 |
| MDL Number | MFCD00017259 |
| SMILES | CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Synonym | capsaicin,zostrix,capsaicine,e-capsaicin,qutenza,styptysat,axsain,isodecenoic acid vanillylamide,trans-8-methyl-n-vanillyl-6-nonenamide |
| IUPAC Name | (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
| InChI Key | YKPUWZUDDOIDPM-SOFGYWHQSA-N |
| Molecular Formula | C18H27NO3 |
Bis(2,4,6-trichlorophenyl) Oxalate 98.0+%, TCI America™
CAS: 1165-91-9 Molecular Formula: C14H4Cl6O4 Molecular Weight (g/mol): 448.882 MDL Number: MFCD00043061 InChI Key: GEVPIWPYWJZSPR-UHFFFAOYSA-N Synonym: bis 2,4,6-trichlorophenyl oxalate,bis 2,4,6-trichlorophenyl ethanedioate,oxalic acid bis 2,4,6-trichlorophenyl ester,2,4,6-trichlorophenyl oxalate,ethanedioic acid, bis 2,4,6-trichlorophenyl ester,bis-tcpo,acmc-20a7jt,gevpiwpywjzspr-uhfffaoysa PubChem CID: 160567 IUPAC Name: bis(2,4,6-trichlorophenyl) oxalate SMILES: C1=C(C=C(C(=C1Cl)OC(=O)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
| PubChem CID | 160567 |
|---|---|
| CAS | 1165-91-9 |
| Molecular Weight (g/mol) | 448.882 |
| MDL Number | MFCD00043061 |
| SMILES | C1=C(C=C(C(=C1Cl)OC(=O)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl |
| Synonym | bis 2,4,6-trichlorophenyl oxalate,bis 2,4,6-trichlorophenyl ethanedioate,oxalic acid bis 2,4,6-trichlorophenyl ester,2,4,6-trichlorophenyl oxalate,ethanedioic acid, bis 2,4,6-trichlorophenyl ester,bis-tcpo,acmc-20a7jt,gevpiwpywjzspr-uhfffaoysa |
| IUPAC Name | bis(2,4,6-trichlorophenyl) oxalate |
| InChI Key | GEVPIWPYWJZSPR-UHFFFAOYSA-N |
| Molecular Formula | C14H4Cl6O4 |
s-Diphenylcarbazone, ACS Reagent Grade, Ricca Chemical
CAS: 538-62-5 Molecular Formula: C13H12N4O Molecular Weight (g/mol): 240.266 InChI Key: ZFWAHZCOKGWUIT-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazone,diazenecarboxylic acid, phenyl-, 2-phenylhydrazide,unii-5uyj4r0d5t,phenylazoformic acid 2-phenylhydrazide,sym-diphenylcarbazone,5uyj4r0d5t,chembl79409,3-hydroxy-1,5-diphenylformazan,phenyldiazenecarboxylic acid 2-phenylhydrazide,3-phenylamino-1-phenylimino urea PubChem CID: 10860 IUPAC Name: 1-anilino-3-phenyliminourea SMILES: C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2
| PubChem CID | 10860 |
|---|---|
| CAS | 538-62-5 |
| Molecular Weight (g/mol) | 240.266 |
| SMILES | C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2 |
| Synonym | 1,5-diphenylcarbazone,diazenecarboxylic acid, phenyl-, 2-phenylhydrazide,unii-5uyj4r0d5t,phenylazoformic acid 2-phenylhydrazide,sym-diphenylcarbazone,5uyj4r0d5t,chembl79409,3-hydroxy-1,5-diphenylformazan,phenyldiazenecarboxylic acid 2-phenylhydrazide,3-phenylamino-1-phenylimino urea |
| IUPAC Name | 1-anilino-3-phenyliminourea |
| InChI Key | ZFWAHZCOKGWUIT-UHFFFAOYSA-N |
| Molecular Formula | C13H12N4O |
Dimethyl 5-Hydroxyisophthalate 98.0+%, TCI America™
CAS: 13036-02-7 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00134367 InChI Key: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 IUPAC Name: 1,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
| PubChem CID | 83065 |
|---|---|
| CAS | 13036-02-7 |
| Molecular Weight (g/mol) | 210.19 |
| MDL Number | MFCD00134367 |
| SMILES | COC(=O)C1=CC(=CC(O)=C1)C(=O)OC |
| IUPAC Name | 1,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate |
| InChI Key | DOSDTCPDBPRFHQ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O5 |
Dimethyl Bromoterephthalate 98.0+%, TCI America™
CAS: 18643-86-2 Molecular Formula: C10H9BrO4 Molecular Weight (g/mol): 273.082 MDL Number: MFCD00060638 InChI Key: VUMPFOPENBVFOF-UHFFFAOYSA-N Synonym: Bromoterephthalic Acid Dimethyl Ester PubChem CID: 87741 IUPAC Name: dimethyl 2-bromobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br
| PubChem CID | 87741 |
|---|---|
| CAS | 18643-86-2 |
| Molecular Weight (g/mol) | 273.082 |
| MDL Number | MFCD00060638 |
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br |
| Synonym | Bromoterephthalic Acid Dimethyl Ester |
| IUPAC Name | dimethyl 2-bromobenzene-1,4-dicarboxylate |
| InChI Key | VUMPFOPENBVFOF-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrO4 |
Monomethyl 5-Nitroisophthalate 98.0+%, TCI America™
CAS: 1955-46-0 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.156 MDL Number: MFCD00009793 InChI Key: ZCRNIIJXDRYWDU-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl-5-nitrobenzoic acid,5-nitroisophthalic acid monomethyl ester,monomethyl 5-nitroisophthalate,methyl 5-nitroisophthalate,mono-methyl 5-nitroisophthalate,mono-methyl-5-nitroisophthalic acid,methyl hydrogen 5-nitroisophthalate,5-nitroisophthalic acid, monomethyl ester,monomethyl-5-nitroisophthalate,monomethyl 5-nitrobenzene-1,3-dicarboxylate PubChem CID: 74776 SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 74776 |
|---|---|
| CAS | 1955-46-0 |
| Molecular Weight (g/mol) | 225.156 |
| MDL Number | MFCD00009793 |
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 3-methoxycarbonyl-5-nitrobenzoic acid,5-nitroisophthalic acid monomethyl ester,monomethyl 5-nitroisophthalate,methyl 5-nitroisophthalate,mono-methyl 5-nitroisophthalate,mono-methyl-5-nitroisophthalic acid,methyl hydrogen 5-nitroisophthalate,5-nitroisophthalic acid, monomethyl ester,monomethyl-5-nitroisophthalate,monomethyl 5-nitrobenzene-1,3-dicarboxylate |
| InChI Key | ZCRNIIJXDRYWDU-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO6 |
4-Ethylbenzoic Acid 98.0+%, TCI America™
CAS: 619-64-7 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 12086 |
|---|---|
| CAS | 619-64-7 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00002570 |
| SMILES | CCC1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; |
| IUPAC Name | 4-ethylbenzoic acid |
| InChI Key | ZQVKTHRQIXSMGY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
4-Ethoxy-3-methoxybenzaldehyde 98.0+%, TCI America™
CAS: 120-25-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00016614 InChI Key: BERFDQAMXIBOHM-UHFFFAOYSA-N Synonym: 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 PubChem CID: 67116 IUPAC Name: 4-ethoxy-3-methoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)OC
| PubChem CID | 67116 |
|---|---|
| CAS | 120-25-2 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00016614 |
| SMILES | CCOC1=C(C=C(C=C1)C=O)OC |
| Synonym | 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 |
| IUPAC Name | 4-ethoxy-3-methoxybenzaldehyde |
| InChI Key | BERFDQAMXIBOHM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
(1-Ethylpropyl)benzene 99.0+%, TCI America™
CAS: 1196-58-3 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.25 MDL Number: MFCD00048663 InChI Key: PBWHJRFXUPLZDS-UHFFFAOYSA-N Synonym: 3-Phenylpentane PubChem CID: 14527 IUPAC Name: (pentan-3-yl)benzene SMILES: CCC(CC)C1=CC=CC=C1
| PubChem CID | 14527 |
|---|---|
| CAS | 1196-58-3 |
| Molecular Weight (g/mol) | 148.25 |
| MDL Number | MFCD00048663 |
| SMILES | CCC(CC)C1=CC=CC=C1 |
| Synonym | 3-Phenylpentane |
| IUPAC Name | (pentan-3-yl)benzene |
| InChI Key | PBWHJRFXUPLZDS-UHFFFAOYSA-N |
| Molecular Formula | C11H16 |