Benzene and substituted derivatives
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2-Bromobenzaldehyde Diethyl Acetal 97.0+%, TCI America™
CAS: 35822-58-3 Molecular Formula: C11H15BrO2 Molecular Weight (g/mol): 259.14 MDL Number: MFCD01075696 InChI Key: APDGYQVYBWGBSD-UHFFFAOYSA-N Synonym: 2-bromobenzaldehyde diethyl acetal,1-bromo-2-diethoxymethyl benzene,2-diethoxymethyl bromobenzene,2-bromobenzaldehydediethylacetal,benzene, 1-bromo-2-diethoxymethyl,2-bromophenyl diethoxymethane,2-bromo-alpha,alpha-diethoxytoluene,pubchem5370,acmc-1afuv,bromobenzaldehyde diethylacetal PubChem CID: 3482778 IUPAC Name: 1-bromo-2-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=CC=C1Br
| PubChem CID | 3482778 |
|---|---|
| CAS | 35822-58-3 |
| Molecular Weight (g/mol) | 259.14 |
| MDL Number | MFCD01075696 |
| SMILES | CCOC(OCC)C1=CC=CC=C1Br |
| Synonym | 2-bromobenzaldehyde diethyl acetal,1-bromo-2-diethoxymethyl benzene,2-diethoxymethyl bromobenzene,2-bromobenzaldehydediethylacetal,benzene, 1-bromo-2-diethoxymethyl,2-bromophenyl diethoxymethane,2-bromo-alpha,alpha-diethoxytoluene,pubchem5370,acmc-1afuv,bromobenzaldehyde diethylacetal |
| IUPAC Name | 1-bromo-2-(diethoxymethyl)benzene |
| InChI Key | APDGYQVYBWGBSD-UHFFFAOYSA-N |
| Molecular Formula | C11H15BrO2 |
2-Bromo-6-fluoroaniline 98.0+%, TCI America™
CAS: 65896-11-9 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.02 MDL Number: MFCD01310982 InChI Key: ALZFPYUPNVLVQM-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-6-fluoro,2-bromo-6-fluoro-phenylamine,2-bromo-6-fluorobenzenamine,2-bromo-6-fluoro-aniline,2-bromo-6-fluoro aniline,2-bromo-6-fluorophenylamine,pubchem2923,acmc-209nsu,2-bromo-6-flouroaniline,ksc493o8h PubChem CID: 2782940 IUPAC Name: 2-bromo-6-fluoroaniline SMILES: NC1=C(F)C=CC=C1Br
| PubChem CID | 2782940 |
|---|---|
| CAS | 65896-11-9 |
| Molecular Weight (g/mol) | 190.02 |
| MDL Number | MFCD01310982 |
| SMILES | NC1=C(F)C=CC=C1Br |
| Synonym | benzenamine, 2-bromo-6-fluoro,2-bromo-6-fluoro-phenylamine,2-bromo-6-fluorobenzenamine,2-bromo-6-fluoro-aniline,2-bromo-6-fluoro aniline,2-bromo-6-fluorophenylamine,pubchem2923,acmc-209nsu,2-bromo-6-flouroaniline,ksc493o8h |
| IUPAC Name | 2-bromo-6-fluoroaniline |
| InChI Key | ALZFPYUPNVLVQM-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
4-Bromo-2,6-dichloroaniline 98.0+%, TCI America™
CAS: 697-88-1 Molecular Formula: C6H4BrCl2N Molecular Weight (g/mol): 240.909 MDL Number: MFCD00025162 InChI Key: NPQBZKNXJZARBJ-UHFFFAOYSA-N Synonym: 2,6-dichloro-4-bromoaniline,4-bromo-2,6-dichlorophenyl amine,4-bromo-2,6-dichlorophenylamine,4-bromo-2,6-dichloro-benzenamine,benzenamine, 4-bromo-2,6-dichloro,4-brom-2,6-dichloranilin,pubchem3606,acmc-1ay6t,ksc495a6h,4-bromo-2,6-dichloro aniline PubChem CID: 69680 IUPAC Name: 4-bromo-2,6-dichloroaniline SMILES: C1=C(C=C(C(=C1Cl)N)Cl)Br
| PubChem CID | 69680 |
|---|---|
| CAS | 697-88-1 |
| Molecular Weight (g/mol) | 240.909 |
| MDL Number | MFCD00025162 |
| SMILES | C1=C(C=C(C(=C1Cl)N)Cl)Br |
| Synonym | 2,6-dichloro-4-bromoaniline,4-bromo-2,6-dichlorophenyl amine,4-bromo-2,6-dichlorophenylamine,4-bromo-2,6-dichloro-benzenamine,benzenamine, 4-bromo-2,6-dichloro,4-brom-2,6-dichloranilin,pubchem3606,acmc-1ay6t,ksc495a6h,4-bromo-2,6-dichloro aniline |
| IUPAC Name | 4-bromo-2,6-dichloroaniline |
| InChI Key | NPQBZKNXJZARBJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrCl2N |
3-(Trifluoromethoxy)benzonitrile 98.0+%, TCI America™
CAS: 52771-22-9 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.12 MDL Number: MFCD00040959 InChI Key: DCZAPXGEZYVQNX-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy benzonitrile,m-trifluoromethoxybenzonitrile,benzonitrile, 3-trifluoromethoxy,3-trifluoromethoxy-benzonitrile,3-trifluoromethoxy benzenecarbonitrile,pubchem4825,acmc-1art8,ksc493e1j,m-trifluoromethoxy benzonitrile PubChem CID: 142962 IUPAC Name: 3-(trifluoromethoxy)benzonitrile SMILES: FC(F)(F)OC1=CC=CC(=C1)C#N
| PubChem CID | 142962 |
|---|---|
| CAS | 52771-22-9 |
| Molecular Weight (g/mol) | 187.12 |
| MDL Number | MFCD00040959 |
| SMILES | FC(F)(F)OC1=CC=CC(=C1)C#N |
| Synonym | 3-trifluoromethoxy benzonitrile,m-trifluoromethoxybenzonitrile,benzonitrile, 3-trifluoromethoxy,3-trifluoromethoxy-benzonitrile,3-trifluoromethoxy benzenecarbonitrile,pubchem4825,acmc-1art8,ksc493e1j,m-trifluoromethoxy benzonitrile |
| IUPAC Name | 3-(trifluoromethoxy)benzonitrile |
| InChI Key | DCZAPXGEZYVQNX-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO |
3,5-Bis(trifluoromethyl)phenylacetic Acid 97.0+%, TCI America™
CAS: 85068-33-3 Molecular Formula: C10H6F6O2 Molecular Weight (g/mol): 272.15 MDL Number: MFCD00009908 InChI Key: PAWSKKHEEYTXSA-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylacetic acid,2-3,5-bis trifluoromethyl phenyl acetic acid,3,5-bis-trifluoromethylphenylacetic acid,mbt-paa,2-3,5-di trifluoromethyl phenyl acetic acid,benzeneacetic acid, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenyl acetic acid,3,5-di trifluoromethyl phenylacetic acid,3,5-bis trifluoromethyl phenylaceticacid PubChem CID: 123587 IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 123587 |
|---|---|
| CAS | 85068-33-3 |
| Molecular Weight (g/mol) | 272.15 |
| MDL Number | MFCD00009908 |
| SMILES | OC(=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl phenylacetic acid,2-3,5-bis trifluoromethyl phenyl acetic acid,3,5-bis-trifluoromethylphenylacetic acid,mbt-paa,2-3,5-di trifluoromethyl phenyl acetic acid,benzeneacetic acid, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenyl acetic acid,3,5-di trifluoromethyl phenylacetic acid,3,5-bis trifluoromethyl phenylaceticacid |
| IUPAC Name | 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid |
| InChI Key | PAWSKKHEEYTXSA-UHFFFAOYSA-N |
| Molecular Formula | C10H6F6O2 |
Methyl 2-(Aminosulfonyl)benzoate 98.0+%, TCI America™
CAS: 57683-71-3 Molecular Formula: C8H9NO4S Molecular Weight (g/mol): 215.22 MDL Number: MFCD00009808 InChI Key: VSOOBQALJVLTBH-UHFFFAOYSA-N Synonym: methyl 2-aminosulfonyl benzoate,2-carbomethoxybenzenesulfonamide,2-sulfamoylbenzoic acid methyl ester,2-methoxycarbonyl benzene sulfonamide,methyl o-sulphamoylbenzoate,benzoic acid, 2-aminosulfonyl-, methyl ester,benzoic acid, 2-sulfamoyl-, methyl ester,2-methoxycarbonylphenylsulfonamide,2-methoxycarbonylbenzenesulfonamide,2-methoxycarbonyl benzenesulphonamide PubChem CID: 42546 ChEBI: CHEBI:83512 IUPAC Name: methyl 2-sulfamoylbenzoate SMILES: COC(=O)C1=CC=CC=C1S(N)(=O)=O
| PubChem CID | 42546 |
|---|---|
| CAS | 57683-71-3 |
| Molecular Weight (g/mol) | 215.22 |
| ChEBI | CHEBI:83512 |
| MDL Number | MFCD00009808 |
| SMILES | COC(=O)C1=CC=CC=C1S(N)(=O)=O |
| Synonym | methyl 2-aminosulfonyl benzoate,2-carbomethoxybenzenesulfonamide,2-sulfamoylbenzoic acid methyl ester,2-methoxycarbonyl benzene sulfonamide,methyl o-sulphamoylbenzoate,benzoic acid, 2-aminosulfonyl-, methyl ester,benzoic acid, 2-sulfamoyl-, methyl ester,2-methoxycarbonylphenylsulfonamide,2-methoxycarbonylbenzenesulfonamide,2-methoxycarbonyl benzenesulphonamide |
| IUPAC Name | methyl 2-sulfamoylbenzoate |
| InChI Key | VSOOBQALJVLTBH-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO4S |
Benzyl(ethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™
CAS: 1186103-43-4 Molecular Formula: C13H18F6N2O4S2 Molecular Weight (g/mol): 444.407 InChI Key: IGABCHQKFATAOI-UHFFFAOYSA-N PubChem CID: 87176851 IUPAC Name: benzyl-ethyl-dimethylazanium;bis(trifluoromethylsulfonyl)azanide SMILES: CC[N+](C)(C)CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
| PubChem CID | 87176851 |
|---|---|
| CAS | 1186103-43-4 |
| Molecular Weight (g/mol) | 444.407 |
| SMILES | CC[N+](C)(C)CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
| IUPAC Name | benzyl-ethyl-dimethylazanium;bis(trifluoromethylsulfonyl)azanide |
| InChI Key | IGABCHQKFATAOI-UHFFFAOYSA-N |
| Molecular Formula | C13H18F6N2O4S2 |
Methyl 4-Methoxy-2-methylbenzoate 98.0+%, TCI America™
CAS: 35598-05-1 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD06203918 InChI Key: OGYAVWKYDVBIMW-UHFFFAOYSA-N Synonym: 4-Methoxy-2-methylbenzoic Acid Methyl Ester, Methyl 4-Methoxy-o-toluate, 4-Methoxy-o-toluic Acid Methyl Ester, Methyl 2-Methyl-p-anisate, 2-Methyl-p-anisic Acid Methyl Ester PubChem CID: 13257269 IUPAC Name: methyl 4-methoxy-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=C(OC)C=C1
| PubChem CID | 13257269 |
|---|---|
| CAS | 35598-05-1 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD06203918 |
| SMILES | COC(=O)C1=C(C)C=C(OC)C=C1 |
| Synonym | 4-Methoxy-2-methylbenzoic Acid Methyl Ester, Methyl 4-Methoxy-o-toluate, 4-Methoxy-o-toluic Acid Methyl Ester, Methyl 2-Methyl-p-anisate, 2-Methyl-p-anisic Acid Methyl Ester |
| IUPAC Name | methyl 4-methoxy-2-methylbenzoate |
| InChI Key | OGYAVWKYDVBIMW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
1-Benzyl-3-pyrrolidone 98.0+%, TCI America™
CAS: 775-16-6 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00005342 InChI Key: DHGMDHQNUNRMIN-UHFFFAOYSA-N Synonym: 1-benzyl-3-pyrrolidinone,n-benzyl-3-pyrrolidinone,1-phenylmethyl-3-pyrrolidinone,1-benzyl-3-pyrrolidone,1-benzyl-pyrrolidin-3-one,1-benzyl pyrrolidin-3-one,3-pyrrolidinone, 1-phenylmethyl,benzyl-3-pyrrolidinone,pubchem10007,n-benzylpyrrolid-3-one PubChem CID: 69890 IUPAC Name: 1-benzylpyrrolidin-3-one SMILES: C1CN(CC1=O)CC2=CC=CC=C2
| PubChem CID | 69890 |
|---|---|
| CAS | 775-16-6 |
| Molecular Weight (g/mol) | 175.231 |
| MDL Number | MFCD00005342 |
| SMILES | C1CN(CC1=O)CC2=CC=CC=C2 |
| Synonym | 1-benzyl-3-pyrrolidinone,n-benzyl-3-pyrrolidinone,1-phenylmethyl-3-pyrrolidinone,1-benzyl-3-pyrrolidone,1-benzyl-pyrrolidin-3-one,1-benzyl pyrrolidin-3-one,3-pyrrolidinone, 1-phenylmethyl,benzyl-3-pyrrolidinone,pubchem10007,n-benzylpyrrolid-3-one |
| IUPAC Name | 1-benzylpyrrolidin-3-one |
| InChI Key | DHGMDHQNUNRMIN-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO |
4-Aminobenzaldehyde Polymer, TCI America™
CAS: 28107-09-7 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.14 MDL Number: MFCD00038137 InChI Key: VATYWCRQDJIRAI-UHFFFAOYSA-N PubChem CID: 11158 IUPAC Name: 4-aminobenzaldehyde SMILES: NC1=CC=C(C=O)C=C1
| PubChem CID | 11158 |
|---|---|
| CAS | 28107-09-7 |
| Molecular Weight (g/mol) | 121.14 |
| MDL Number | MFCD00038137 |
| SMILES | NC1=CC=C(C=O)C=C1 |
| IUPAC Name | 4-aminobenzaldehyde |
| InChI Key | VATYWCRQDJIRAI-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
Ethyl Acetylsalicylate 98.0+%, TCI America™
CAS: 529-68-0 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00026824 InChI Key: UYDSGXAKLVZWIJ-UHFFFAOYSA-N Synonym: 2-Acetoxybenzoic Acid Ethyl Ester, Ethyl 2-Acetoxybenzoate, Acetylsalicylic Acid Ethyl Ester PubChem CID: 10728 IUPAC Name: ethyl 2-acetyloxybenzoate SMILES: CCOC(=O)C1=CC=CC=C1OC(=O)C
| PubChem CID | 10728 |
|---|---|
| CAS | 529-68-0 |
| Molecular Weight (g/mol) | 208.213 |
| MDL Number | MFCD00026824 |
| SMILES | CCOC(=O)C1=CC=CC=C1OC(=O)C |
| Synonym | 2-Acetoxybenzoic Acid Ethyl Ester, Ethyl 2-Acetoxybenzoate, Acetylsalicylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-acetyloxybenzoate |
| InChI Key | UYDSGXAKLVZWIJ-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |
3'-Aminoacetanilide 98.0+%, TCI America™
CAS: 102-28-3 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00025229 InChI Key: PEMGGJDINLGTON-UHFFFAOYSA-N Synonym: n-3-aminophenyl acetamide,3'-aminoacetanilide,3-aminoacetanilide,m-aminoacetanilide,acetamide, n-3-aminophenyl,3-acetamidoaniline,m-acetaminoaniline,m-acetylamino aniline,3-aminoacetanilid,3-amino-n-acetylaniline PubChem CID: 7604 IUPAC Name: N-(3-aminophenyl)acetamide SMILES: CC(=O)NC1=CC=CC(N)=C1
| PubChem CID | 7604 |
|---|---|
| CAS | 102-28-3 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00025229 |
| SMILES | CC(=O)NC1=CC=CC(N)=C1 |
| Synonym | n-3-aminophenyl acetamide,3'-aminoacetanilide,3-aminoacetanilide,m-aminoacetanilide,acetamide, n-3-aminophenyl,3-acetamidoaniline,m-acetaminoaniline,m-acetylamino aniline,3-aminoacetanilid,3-amino-n-acetylaniline |
| IUPAC Name | N-(3-aminophenyl)acetamide |
| InChI Key | PEMGGJDINLGTON-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
4-Bromoaniline 99.0+%, TCI America™
CAS: 106-40-1 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.025 MDL Number: MFCD00007822 InChI Key: WDFQBORIUYODSI-UHFFFAOYSA-N Synonym: p-bromoaniline,4-bromobenzenamine,benzenamine, 4-bromo,p-bromophenylamine,aniline, p-bromo,4-bromo-aniline,4-bromobenzeneamine,p-bromo aniline,4-bromanilinu,4-bromo-phenylamine PubChem CID: 7807 IUPAC Name: 4-bromoaniline SMILES: C1=CC(=CC=C1N)Br
| PubChem CID | 7807 |
|---|---|
| CAS | 106-40-1 |
| Molecular Weight (g/mol) | 172.025 |
| MDL Number | MFCD00007822 |
| SMILES | C1=CC(=CC=C1N)Br |
| Synonym | p-bromoaniline,4-bromobenzenamine,benzenamine, 4-bromo,p-bromophenylamine,aniline, p-bromo,4-bromo-aniline,4-bromobenzeneamine,p-bromo aniline,4-bromanilinu,4-bromo-phenylamine |
| IUPAC Name | 4-bromoaniline |
| InChI Key | WDFQBORIUYODSI-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
Ethyl p-Anisate 99.0+%, TCI America™
CAS: 94-30-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00015151 InChI Key: FHUODBDRWMIBQP-UHFFFAOYSA-N Synonym: ethyl p-anisate,ethyl anisate,ethyl p-methoxybenzoate,p-anisic acid, ethyl ester,benzoic acid, 4-methoxy-, ethyl ester,4-methoxybenzoic acid ethyl ester,benzoic acid, p-methoxy-, ethyl ester,ethyl p-anisoate,unii-kj95h2s7nm,p-anisic acid ethyl ester PubChem CID: 60979 IUPAC Name: ethyl 4-methoxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 60979 |
|---|---|
| CAS | 94-30-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00015151 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC |
| Synonym | ethyl p-anisate,ethyl anisate,ethyl p-methoxybenzoate,p-anisic acid, ethyl ester,benzoic acid, 4-methoxy-, ethyl ester,4-methoxybenzoic acid ethyl ester,benzoic acid, p-methoxy-, ethyl ester,ethyl p-anisoate,unii-kj95h2s7nm,p-anisic acid ethyl ester |
| IUPAC Name | ethyl 4-methoxybenzoate |
| InChI Key | FHUODBDRWMIBQP-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
1-Bromo-4-(trimethylsilyl)benzene 97.0+%, TCI America™
CAS: 6999-03-7 Molecular Formula: C9H13BrSi Molecular Weight (g/mol): 229.19 MDL Number: MFCD00094165 InChI Key: UKTSSJJZFVGTCG-UHFFFAOYSA-N Synonym: (4-Bromophenyl)trimethylsilane PubChem CID: 138897 IUPAC Name: (4-bromophenyl)-trimethylsilane SMILES: C[Si](C)(C)C1=CC=C(C=C1)Br
| PubChem CID | 138897 |
|---|---|
| CAS | 6999-03-7 |
| Molecular Weight (g/mol) | 229.19 |
| MDL Number | MFCD00094165 |
| SMILES | C[Si](C)(C)C1=CC=C(C=C1)Br |
| Synonym | (4-Bromophenyl)trimethylsilane |
| IUPAC Name | (4-bromophenyl)-trimethylsilane |
| InChI Key | UKTSSJJZFVGTCG-UHFFFAOYSA-N |
| Molecular Formula | C9H13BrSi |