Benzene and substituted derivatives
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Cinnamonitrile 95.0+%, TCI America™
CAS: 1885-38-7 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.162 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N
| PubChem CID | 1550846 |
|---|---|
| CAS | 1885-38-7 |
| Molecular Weight (g/mol) | 129.162 |
| MDL Number | MFCD00001930 |
| SMILES | C1=CC=C(C=C1)C=CC#N |
| Synonym | cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile |
| IUPAC Name | (E)-3-phenylprop-2-enenitrile |
| InChI Key | ZWKNLRXFUTWSOY-QPJJXVBHSA-N |
| Molecular Formula | C9H7N |
Benzylamine Hydrobromide 98.0+%, TCI America™
CAS: 37488-40-7 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00035434 InChI Key: QJFMCHRSDOLMHA-UHFFFAOYSA-N Synonym: Benzylammonium Bromide PubChem CID: 12998568 IUPAC Name: phenylmethanamine;hydrobromide SMILES: C1=CC=C(C=C1)CN.Br
| PubChem CID | 12998568 |
|---|---|
| CAS | 37488-40-7 |
| Molecular Weight (g/mol) | 188.068 |
| MDL Number | MFCD00035434 |
| SMILES | C1=CC=C(C=C1)CN.Br |
| Synonym | Benzylammonium Bromide |
| IUPAC Name | phenylmethanamine;hydrobromide |
| InChI Key | QJFMCHRSDOLMHA-UHFFFAOYSA-N |
| Molecular Formula | C7H10BrN |
Leflunomide 98.0+%, TCI America™
CAS: 75706-12-6 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00867593 InChI Key: VHOGYURTWQBHIL-UHFFFAOYSA-N Synonym: leflunomide,arava,leflunomidum,lefunamide,leflunomida,leflunomidum inn-latin,5-methyl-n-4-trifluoromethyl phenyl-1,2-oxazole-4-carboxamide,leflunomida inn-spanish,su 101 pharmaceutical,arava tn PubChem CID: 3899 ChEBI: CHEBI:6402 IUPAC Name: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide SMILES: CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
| PubChem CID | 3899 |
|---|---|
| CAS | 75706-12-6 |
| Molecular Weight (g/mol) | 270.211 |
| ChEBI | CHEBI:6402 |
| MDL Number | MFCD00867593 |
| SMILES | CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F |
| Synonym | leflunomide,arava,leflunomidum,lefunamide,leflunomida,leflunomidum inn-latin,5-methyl-n-4-trifluoromethyl phenyl-1,2-oxazole-4-carboxamide,leflunomida inn-spanish,su 101 pharmaceutical,arava tn |
| IUPAC Name | 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide |
| InChI Key | VHOGYURTWQBHIL-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O2 |
1-(4-Methoxyphenoxy)-2-propanol 98.0+%, TCI America™
CAS: 42900-54-9 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00191541 InChI Key: VRJJZESAMSRBTH-UHFFFAOYNA-N Synonym: 4-(2-Hydroxypropoxy)anisole PubChem CID: 10749941 IUPAC Name: 1-(4-methoxyphenoxy)propan-2-ol SMILES: COC1=CC=C(OCC(C)O)C=C1
| PubChem CID | 10749941 |
|---|---|
| CAS | 42900-54-9 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00191541 |
| SMILES | COC1=CC=C(OCC(C)O)C=C1 |
| Synonym | 4-(2-Hydroxypropoxy)anisole |
| IUPAC Name | 1-(4-methoxyphenoxy)propan-2-ol |
| InChI Key | VRJJZESAMSRBTH-UHFFFAOYNA-N |
| Molecular Formula | C10H14O3 |
2-Amino-3,4-dimethylbenzoic Acid 98.0+%, TCI America™
CAS: 50419-58-4 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00130041 InChI Key: MUOBMUYSNYMSDM-UHFFFAOYSA-N Synonym: 2-amino-3,4-dimethyl-benzoic acid,3,4-dimethylanthranilic acid,benzoic acid, 2-amino-3,4-dimethyl,pubchem4683,acmc-1aomr,ksc272a3h,2-amino-3,4-dimethyl benzoic acid PubChem CID: 282450 IUPAC Name: 2-amino-3,4-dimethylbenzoic acid SMILES: CC1=CC=C(C(O)=O)C(N)=C1C
| PubChem CID | 282450 |
|---|---|
| CAS | 50419-58-4 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD00130041 |
| SMILES | CC1=CC=C(C(O)=O)C(N)=C1C |
| Synonym | 2-amino-3,4-dimethyl-benzoic acid,3,4-dimethylanthranilic acid,benzoic acid, 2-amino-3,4-dimethyl,pubchem4683,acmc-1aomr,ksc272a3h,2-amino-3,4-dimethyl benzoic acid |
| IUPAC Name | 2-amino-3,4-dimethylbenzoic acid |
| InChI Key | MUOBMUYSNYMSDM-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
4-Guanidinobenzoic Acid Methanesulfonate 98.0+%, TCI America™
CAS: 148720-07-4 Molecular Formula: C9H13N3O5S Molecular Weight (g/mol): 275.28 MDL Number: MFCD00191442 InChI Key: NGBBXMQQIAFCGF-UHFFFAOYSA-N PubChem CID: 44630314 IUPAC Name: 4-[(diaminomethylidene)amino]benzoic acid; methanesulfonic acid SMILES: CS(O)(=O)=O.NC(N)=NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 44630314 |
|---|---|
| CAS | 148720-07-4 |
| Molecular Weight (g/mol) | 275.28 |
| MDL Number | MFCD00191442 |
| SMILES | CS(O)(=O)=O.NC(N)=NC1=CC=C(C=C1)C(O)=O |
| IUPAC Name | 4-[(diaminomethylidene)amino]benzoic acid; methanesulfonic acid |
| InChI Key | NGBBXMQQIAFCGF-UHFFFAOYSA-N |
| Molecular Formula | C9H13N3O5S |
N-(Diphenylmethylene)aminoacetonitrile 98.0+%, TCI America™
CAS: 70591-20-7 Molecular Formula: C15H12N2 Molecular Weight (g/mol): 220.28 MDL Number: MFCD00009970 InChI Key: VRLJFRODHVSTIK-UHFFFAOYSA-N Synonym: n-diphenylmethylene aminoacetonitrile,2-diphenylmethylene amino acetonitrile,benzhydrylidene-amino-acetonitrile,2-benzhydrylideneamino acetonitrile,2-diphenylmethylidene amino acetonitrile,acetonitrile, diphenylmethylene amino,4,4-diphenyl-3-azabut-3-enenitrile,pubchem13883,benzhydrylideneaminoacetonitrile PubChem CID: 612957 IUPAC Name: 2-[(diphenylmethylidene)amino]acetonitrile SMILES: N#CCN=C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 612957 |
|---|---|
| CAS | 70591-20-7 |
| Molecular Weight (g/mol) | 220.28 |
| MDL Number | MFCD00009970 |
| SMILES | N#CCN=C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | n-diphenylmethylene aminoacetonitrile,2-diphenylmethylene amino acetonitrile,benzhydrylidene-amino-acetonitrile,2-benzhydrylideneamino acetonitrile,2-diphenylmethylidene amino acetonitrile,acetonitrile, diphenylmethylene amino,4,4-diphenyl-3-azabut-3-enenitrile,pubchem13883,benzhydrylideneaminoacetonitrile |
| IUPAC Name | 2-[(diphenylmethylidene)amino]acetonitrile |
| InChI Key | VRLJFRODHVSTIK-UHFFFAOYSA-N |
| Molecular Formula | C15H12N2 |
2-Bromo-4-(tert-butyl)aniline 98.0+%, TCI America™
CAS: 103273-01-4 Molecular Formula: C10H14BrN Molecular Weight (g/mol): 228.13 MDL Number: MFCD00052693 InChI Key: OLKYFBNIFKQRIZ-UHFFFAOYSA-N PubChem CID: 238591 IUPAC Name: 2-bromo-4-tert-butylaniline SMILES: CC(C)(C)C1=CC(Br)=C(N)C=C1
| PubChem CID | 238591 |
|---|---|
| CAS | 103273-01-4 |
| Molecular Weight (g/mol) | 228.13 |
| MDL Number | MFCD00052693 |
| SMILES | CC(C)(C)C1=CC(Br)=C(N)C=C1 |
| IUPAC Name | 2-bromo-4-tert-butylaniline |
| InChI Key | OLKYFBNIFKQRIZ-UHFFFAOYSA-N |
| Molecular Formula | C10H14BrN |
4-Aminostilbene 97.0+%, TCI America™
CAS: 834-24-2 Molecular Formula: C14H13N Molecular Weight (g/mol): 195.27 MDL Number: MFCD00025377 InChI Key: VFPLSXYJYAKZCT-VOTSOKGWSA-N Synonym: 4-Stilbenamine PubChem CID: 1272788 IUPAC Name: 4-[(1E)-2-phenylethenyl]aniline SMILES: NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1
| PubChem CID | 1272788 |
|---|---|
| CAS | 834-24-2 |
| Molecular Weight (g/mol) | 195.27 |
| MDL Number | MFCD00025377 |
| SMILES | NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1 |
| Synonym | 4-Stilbenamine |
| IUPAC Name | 4-[(1E)-2-phenylethenyl]aniline |
| InChI Key | VFPLSXYJYAKZCT-VOTSOKGWSA-N |
| Molecular Formula | C14H13N |
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-Iodobenzaldehyde 96.0+%, TCI America™
CAS: 15164-44-0 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039576 InChI Key: NIEBHDXUIJSHSL-UHFFFAOYSA-N Synonym: p-iodobenzaldehyde,benzaldehyde, 4-iodo,4-iodo-benzaldehyde,iodobenzenecarbaldehyde,4-iodo benzaldehyde,pubchem5349,acmc-1bpp9,intermediates-zcf02160,4-iodobenzaldehyde,ksc181a1r PubChem CID: 96657 IUPAC Name: 4-iodobenzaldehyde SMILES: IC1=CC=C(C=O)C=C1
| PubChem CID | 96657 |
|---|---|
| CAS | 15164-44-0 |
| Molecular Weight (g/mol) | 232.02 |
| MDL Number | MFCD00039576 |
| SMILES | IC1=CC=C(C=O)C=C1 |
| Synonym | p-iodobenzaldehyde,benzaldehyde, 4-iodo,4-iodo-benzaldehyde,iodobenzenecarbaldehyde,4-iodo benzaldehyde,pubchem5349,acmc-1bpp9,intermediates-zcf02160,4-iodobenzaldehyde,ksc181a1r |
| IUPAC Name | 4-iodobenzaldehyde |
| InChI Key | NIEBHDXUIJSHSL-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO |
Atropic Acid 93.0+%, TCI America™
CAS: 492-38-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00046531 InChI Key: ONPJWQSDZCGSQM-UHFFFAOYSA-N Synonym: 2-phenylacrylic acid,atropic acid,acrylic acid, 2-phenyl,2-propenoic acid, 2-phenyl,unii-tw16ua35s0,benzeneacetic acid, .alpha.-methylene,.alpha.-phenyl acrylic acid,.alpha.-toluic acid, .alpha.-methylene,alpha-phenylacrylic acid,alpha-phenyl acrylic acid PubChem CID: 68114 IUPAC Name: 2-phenylprop-2-enoic acid SMILES: C=C(C1=CC=CC=C1)C(=O)O
| PubChem CID | 68114 |
|---|---|
| CAS | 492-38-6 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00046531 |
| SMILES | C=C(C1=CC=CC=C1)C(=O)O |
| Synonym | 2-phenylacrylic acid,atropic acid,acrylic acid, 2-phenyl,2-propenoic acid, 2-phenyl,unii-tw16ua35s0,benzeneacetic acid, .alpha.-methylene,.alpha.-phenyl acrylic acid,.alpha.-toluic acid, .alpha.-methylene,alpha-phenylacrylic acid,alpha-phenyl acrylic acid |
| IUPAC Name | 2-phenylprop-2-enoic acid |
| InChI Key | ONPJWQSDZCGSQM-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
Isoeugenol (cis- and trans- mixture) 97.0+%, TCI America™
CAS: 97-54-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Synonym: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 IUPAC Name: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol SMILES: COC1=CC(\C=C\C)=CC=C1O
| PubChem CID | 853433 |
|---|---|
| CAS | 97-54-1 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:50545 |
| MDL Number | MFCD00009285 |
| SMILES | COC1=CC(\C=C\C)=CC=C1O |
| Synonym | isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene |
| IUPAC Name | 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol |
| InChI Key | BJIOGJUNALELMI-ONEGZZNKSA-N |
| Molecular Formula | C10H12O2 |
p-Acetanisidide 98.0+%, TCI America™
CAS: 51-66-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00014963 InChI Key: XVAIDCNLVLTVFM-UHFFFAOYSA-N Synonym: n-4-methoxyphenyl acetamide,4'-methoxyacetanilide,p-methoxyacetanilide,p-acetanisidide,p-acetanisidine,methacetin,4-methoxyacetanilide,aceto-p-anisidide,n-acetyl-p-anisidine,acetamide, n-4-methoxyphenyl PubChem CID: 5827 IUPAC Name: N-(4-methoxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)OC
| PubChem CID | 5827 |
|---|---|
| CAS | 51-66-1 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00014963 |
| SMILES | CC(=O)NC1=CC=C(C=C1)OC |
| Synonym | n-4-methoxyphenyl acetamide,4'-methoxyacetanilide,p-methoxyacetanilide,p-acetanisidide,p-acetanisidine,methacetin,4-methoxyacetanilide,aceto-p-anisidide,n-acetyl-p-anisidine,acetamide, n-4-methoxyphenyl |
| IUPAC Name | N-(4-methoxyphenyl)acetamide |
| InChI Key | XVAIDCNLVLTVFM-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |