Benzene and substituted derivatives
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2,3-Dihydroxybenzoic Acid 98.0+%, TCI America™
CAS: 303-38-8 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002446 InChI Key: GLDQAMYCGOIJDV-UHFFFAOYSA-N Synonym: pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid PubChem CID: 19 ChEBI: CHEBI:18026 IUPAC Name: 2,3-dihydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)O)O)C(=O)O
| PubChem CID | 19 |
|---|---|
| CAS | 303-38-8 |
| Molecular Weight (g/mol) | 154.121 |
| ChEBI | CHEBI:18026 |
| MDL Number | MFCD00002446 |
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)O |
| Synonym | pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid |
| IUPAC Name | 2,3-dihydroxybenzoic acid |
| InChI Key | GLDQAMYCGOIJDV-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
Cupferron 98.0+%, TCI America™
CAS: 135-20-6 Molecular Formula: C6H9N3O2 Molecular Weight (g/mol): 155.16 MDL Number: MFCD00078422 InChI Key: NJVHCUNZAMFQNA-UHFFFAOYSA-N Synonym: cupferron,copperone,azanyliumylidene n-nitroso-n-oxidoaniline PubChem CID: 2724103 IUPAC Name: N-nitroso-N-phenylhydroxylamine amine SMILES: N.ON(N=O)C1=CC=CC=C1
| PubChem CID | 2724103 |
|---|---|
| CAS | 135-20-6 |
| Molecular Weight (g/mol) | 155.16 |
| MDL Number | MFCD00078422 |
| SMILES | N.ON(N=O)C1=CC=CC=C1 |
| Synonym | cupferron,copperone,azanyliumylidene n-nitroso-n-oxidoaniline |
| IUPAC Name | N-nitroso-N-phenylhydroxylamine amine |
| InChI Key | NJVHCUNZAMFQNA-UHFFFAOYSA-N |
| Molecular Formula | C6H9N3O2 |
4'-Bromomethyl-2-cyanobiphenyl 98.0+%, TCI America™
CAS: 114772-54-2 Molecular Formula: C14H10BrN Molecular Weight (g/mol): 272.145 MDL Number: MFCD00671503 InChI Key: LFFIEVAMVPCZNA-UHFFFAOYSA-N Synonym: 4'-bromomethyl-2-cyanobiphenyl,2-4-bromomethyl phenyl benzonitrile,2-cyano-4'-bromomethylbiphenyl,4'-bromomethyl-1,1'-biphenyl-2-carbonitrile,2-4-bromo-methylphenyl benzonitrile,4'-bromomethyl-2-biphenylcarbonitrile,4'-bromomethylbiphenyl-2-carbonitrile,2'-cyano-4-bromomethylbiphenyl,4-2-cyanophenyl benzyl bromide,unii-ui5jr3k10f PubChem CID: 1501912 IUPAC Name: 2-[4-(bromomethyl)phenyl]benzonitrile SMILES: C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr
| PubChem CID | 1501912 |
|---|---|
| CAS | 114772-54-2 |
| Molecular Weight (g/mol) | 272.145 |
| MDL Number | MFCD00671503 |
| SMILES | C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr |
| Synonym | 4'-bromomethyl-2-cyanobiphenyl,2-4-bromomethyl phenyl benzonitrile,2-cyano-4'-bromomethylbiphenyl,4'-bromomethyl-1,1'-biphenyl-2-carbonitrile,2-4-bromo-methylphenyl benzonitrile,4'-bromomethyl-2-biphenylcarbonitrile,4'-bromomethylbiphenyl-2-carbonitrile,2'-cyano-4-bromomethylbiphenyl,4-2-cyanophenyl benzyl bromide,unii-ui5jr3k10f |
| IUPAC Name | 2-[4-(bromomethyl)phenyl]benzonitrile |
| InChI Key | LFFIEVAMVPCZNA-UHFFFAOYSA-N |
| Molecular Formula | C14H10BrN |
2-Bromostyrene (stabilized with TBC) 95.0+%, TCI America™
CAS: 2039-88-5 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000076 InChI Key: SSZOCHFYWWVSAI-UHFFFAOYSA-N Synonym: 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene PubChem CID: 16264 IUPAC Name: 1-bromo-2-ethenylbenzene SMILES: C=CC1=CC=CC=C1Br
| PubChem CID | 16264 |
|---|---|
| CAS | 2039-88-5 |
| Molecular Weight (g/mol) | 183.048 |
| MDL Number | MFCD00000076 |
| SMILES | C=CC1=CC=CC=C1Br |
| Synonym | 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene |
| IUPAC Name | 1-bromo-2-ethenylbenzene |
| InChI Key | SSZOCHFYWWVSAI-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
2,5-Bis(trifluoromethyl)aniline 98.0+%, TCI America™
CAS: 328-93-8 Molecular Formula: C8H5F6N Molecular Weight (g/mol): 229.13 MDL Number: MFCD00074940 InChI Key: XWMVIJUAZAEWIE-UHFFFAOYSA-N Synonym: 2,5-bis trifluoromethyl aniline,2,5-di trifluoromethyl aniline,2,5-bis-trifluoromethyl aniline,2,5-bis-trifluoromethylaniline,benzenamine, 2,5-bis trifluoromethyl,2,5-bis trifluoromethyl-aniline,2,5-bis trifluoromethyl benzenamine,1-amino-2,5-bis trifluoromethyl benzene,2,5-bis trifluoromethyl phenylamine,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-xylidine PubChem CID: 719818 IUPAC Name: 2,5-bis(trifluoromethyl)aniline SMILES: NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F
| PubChem CID | 719818 |
|---|---|
| CAS | 328-93-8 |
| Molecular Weight (g/mol) | 229.13 |
| MDL Number | MFCD00074940 |
| SMILES | NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F |
| Synonym | 2,5-bis trifluoromethyl aniline,2,5-di trifluoromethyl aniline,2,5-bis-trifluoromethyl aniline,2,5-bis-trifluoromethylaniline,benzenamine, 2,5-bis trifluoromethyl,2,5-bis trifluoromethyl-aniline,2,5-bis trifluoromethyl benzenamine,1-amino-2,5-bis trifluoromethyl benzene,2,5-bis trifluoromethyl phenylamine,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-xylidine |
| IUPAC Name | 2,5-bis(trifluoromethyl)aniline |
| InChI Key | XWMVIJUAZAEWIE-UHFFFAOYSA-N |
| Molecular Formula | C8H5F6N |
Bis(4-bromophenyl)amine 98.0+%, TCI America™
CAS: 16292-17-4 Molecular Formula: C12H9Br2N Molecular Weight (g/mol): 327.02 MDL Number: MFCD00225488 InChI Key: VKVHTZNHLOGHGP-UHFFFAOYSA-N PubChem CID: 629950 IUPAC Name: 4-bromo-N-(4-bromophenyl)aniline SMILES: BrC1=CC=C(NC2=CC=C(Br)C=C2)C=C1
| PubChem CID | 629950 |
|---|---|
| CAS | 16292-17-4 |
| Molecular Weight (g/mol) | 327.02 |
| MDL Number | MFCD00225488 |
| SMILES | BrC1=CC=C(NC2=CC=C(Br)C=C2)C=C1 |
| IUPAC Name | 4-bromo-N-(4-bromophenyl)aniline |
| InChI Key | VKVHTZNHLOGHGP-UHFFFAOYSA-N |
| Molecular Formula | C12H9Br2N |
1,3-Bis[2-(4-hydroxyphenyl)-2-propyl]benzene 98.0+%, TCI America™
CAS: 13595-25-0 Molecular Formula: C24H26O2 Molecular Weight (g/mol): 346.47 InChI Key: PVFQHGDIOXNKIC-UHFFFAOYSA-N Synonym: Bisphenol M, 4,4′C-(1,3-Phenylenediisopropylidene)bisphenol PubChem CID: 3292100 IUPAC Name: 4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC(=CC=C2)C(C)(C)C3=CC=C(C=C3)O
| PubChem CID | 3292100 |
|---|---|
| CAS | 13595-25-0 |
| Molecular Weight (g/mol) | 346.47 |
| SMILES | CC(C)(C1=CC=C(C=C1)O)C2=CC(=CC=C2)C(C)(C)C3=CC=C(C=C3)O |
| Synonym | Bisphenol M, 4,4′C-(1,3-Phenylenediisopropylidene)bisphenol |
| IUPAC Name | 4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol |
| InChI Key | PVFQHGDIOXNKIC-UHFFFAOYSA-N |
| Molecular Formula | C24H26O2 |
Bis(4-tert-butylphenyl)amine 90.0+%, TCI America™
CAS: 4627-22-9 Molecular Formula: C20H27N Molecular Weight (g/mol): 281.443 InChI Key: OPEKHRGERHDLRK-UHFFFAOYSA-N PubChem CID: 458684 IUPAC Name: 4-tert-butyl-N-(4-tert-butylphenyl)aniline SMILES: CC(C)(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C)(C)C
| PubChem CID | 458684 |
|---|---|
| CAS | 4627-22-9 |
| Molecular Weight (g/mol) | 281.443 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C)(C)C |
| IUPAC Name | 4-tert-butyl-N-(4-tert-butylphenyl)aniline |
| InChI Key | OPEKHRGERHDLRK-UHFFFAOYSA-N |
| Molecular Formula | C20H27N |
4-Bromobenzenediazonium Tetrafluoroborate 97.0+%, TCI America™
CAS: 673-40-5 Molecular Formula: C6H4BBrF4N2 Molecular Weight (g/mol): 270.82 MDL Number: MFCD00011894 InChI Key: FXTCQUCYDJZGGU-UHFFFAOYSA-N Synonym: 4-bromobenzenediazonium tetrafluoroborate,acmc-209nyn,4-bromobenzene-1-diazonium; tetrafluoroboranuide,boron +3 cation; 4-bromobenzenediazonium; tetrafluoride PubChem CID: 2734810 IUPAC Name: 4-bromobenzene-1-diazonium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.BrC1=CC=C(C=C1)[N+]#N
| PubChem CID | 2734810 |
|---|---|
| CAS | 673-40-5 |
| Molecular Weight (g/mol) | 270.82 |
| MDL Number | MFCD00011894 |
| SMILES | F[B-](F)(F)F.BrC1=CC=C(C=C1)[N+]#N |
| Synonym | 4-bromobenzenediazonium tetrafluoroborate,acmc-209nyn,4-bromobenzene-1-diazonium; tetrafluoroboranuide,boron +3 cation; 4-bromobenzenediazonium; tetrafluoride |
| IUPAC Name | 4-bromobenzene-1-diazonium; tetrafluoroboranuide |
| InChI Key | FXTCQUCYDJZGGU-UHFFFAOYSA-N |
| Molecular Formula | C6H4BBrF4N2 |
1,3-Bis(2,6-diisopropylphenyl)imidazolinium Chloride 96.0+%, TCI America™
CAS: 258278-25-0 Molecular Formula: C27H39ClN2 Molecular Weight (g/mol): 427.07 MDL Number: MFCD07369796 InChI Key: LWPXTYZKAWSRIP-UHFFFAOYSA-M Synonym: 1,3-bis 2,6-diisopropylphenyl-4,5-dihydro-1h-imidazol-3-ium chloride,sipr.hcl,1,3-bis 2,6-diisopropylphenyl-imidazolidinium-chloride,1,3-bis 2,6-diisopropylphenyl imidazolidinium chloride,n,n'-2,6-diisopropylphenyl dihydroimidazolium chloride,1,3-bis 2,6-diisopropylphenyl-4,5-dihydro-1??-imidazol-1-ylium chloride,1,3-bis 2,6-diisopropylphenyl imidazolinium chloride?,1,3-bis-2,6-diisopropylphenyl imidazolidinium chloride,1,3-bis-2,6-diisopropylphenyl imidazolidiniumchloride,1,3-bis 2,6-bis isopropyl phenyl imidazolin-3-ium chloride PubChem CID: 2734918 IUPAC Name: 1,3-bis[2,6-bis(propan-2-yl)phenyl]-4,5-dihydro-3H-1λ⁵-imidazol-1-ylium chloride SMILES: [Cl-].CC(C)C1=CC=CC(C(C)C)=C1N1CC[N+](=C1)C1=C(C=CC=C1C(C)C)C(C)C
| PubChem CID | 2734918 |
|---|---|
| CAS | 258278-25-0 |
| Molecular Weight (g/mol) | 427.07 |
| MDL Number | MFCD07369796 |
| SMILES | [Cl-].CC(C)C1=CC=CC(C(C)C)=C1N1CC[N+](=C1)C1=C(C=CC=C1C(C)C)C(C)C |
| Synonym | 1,3-bis 2,6-diisopropylphenyl-4,5-dihydro-1h-imidazol-3-ium chloride,sipr.hcl,1,3-bis 2,6-diisopropylphenyl-imidazolidinium-chloride,1,3-bis 2,6-diisopropylphenyl imidazolidinium chloride,n,n'-2,6-diisopropylphenyl dihydroimidazolium chloride,1,3-bis 2,6-diisopropylphenyl-4,5-dihydro-1??-imidazol-1-ylium chloride,1,3-bis 2,6-diisopropylphenyl imidazolinium chloride?,1,3-bis-2,6-diisopropylphenyl imidazolidinium chloride,1,3-bis-2,6-diisopropylphenyl imidazolidiniumchloride,1,3-bis 2,6-bis isopropyl phenyl imidazolin-3-ium chloride |
| IUPAC Name | 1,3-bis[2,6-bis(propan-2-yl)phenyl]-4,5-dihydro-3H-1λ⁵-imidazol-1-ylium chloride |
| InChI Key | LWPXTYZKAWSRIP-UHFFFAOYSA-M |
| Molecular Formula | C27H39ClN2 |
2-Bromo-1,3-dimethoxybenzene 98.0+%, TCI America™
CAS: 16932-45-9 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.062 MDL Number: MFCD07780177 InChI Key: VHVYSMMZHORFKU-UHFFFAOYSA-N PubChem CID: 612296 IUPAC Name: 2-bromo-1,3-dimethoxybenzene SMILES: COC1=C(C(=CC=C1)OC)Br
| PubChem CID | 612296 |
|---|---|
| CAS | 16932-45-9 |
| Molecular Weight (g/mol) | 217.062 |
| MDL Number | MFCD07780177 |
| SMILES | COC1=C(C(=CC=C1)OC)Br |
| IUPAC Name | 2-bromo-1,3-dimethoxybenzene |
| InChI Key | VHVYSMMZHORFKU-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
1-Benzhydrylpiperazine 98.0+%, TCI America™
CAS: 841-77-0 Molecular Formula: C17H20N2 Molecular Weight (g/mol): 252.361 MDL Number: MFCD00038379 InChI Key: NWVNXDKZIQLBNM-UHFFFAOYSA-N Synonym: 1-diphenylmethyl piperazine,benzhydrylpiperazine,n-benzhydrylpiperazine,1-benzhydryl-piperazine,diphenylmethylpiperazine,norcyclizine,normethylcyclizine,piperazine, 1-diphenylmethyl,4-benzhydrylpiperazine,n-diphenylmethyl piperazine PubChem CID: 70048 IUPAC Name: 1-benzhydrylpiperazine SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 70048 |
|---|---|
| CAS | 841-77-0 |
| Molecular Weight (g/mol) | 252.361 |
| MDL Number | MFCD00038379 |
| SMILES | C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | 1-diphenylmethyl piperazine,benzhydrylpiperazine,n-benzhydrylpiperazine,1-benzhydryl-piperazine,diphenylmethylpiperazine,norcyclizine,normethylcyclizine,piperazine, 1-diphenylmethyl,4-benzhydrylpiperazine,n-diphenylmethyl piperazine |
| IUPAC Name | 1-benzhydrylpiperazine |
| InChI Key | NWVNXDKZIQLBNM-UHFFFAOYSA-N |
| Molecular Formula | C17H20N2 |
2-Bromo-5-chloroanisole 98.0+%, TCI America™
CAS: 174913-09-8 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.478 MDL Number: MFCD03790889 InChI Key: CQGYLDZGJLVLMK-UHFFFAOYSA-N Synonym: 2-bromo-5-chloroanisole,benzene, 1-bromo-4-chloro-2-methoxy,pubchem5265,acmc-1c20c,ksc497i0p,2-bromo-5-chloroanisole, 98+%,2-methoxy-4-chloro-1-bromobenzene,1-bromo-4-chloro-2-methoxy-benzene PubChem CID: 17984845 IUPAC Name: 1-bromo-4-chloro-2-methoxybenzene SMILES: COC1=C(C=CC(=C1)Cl)Br
| PubChem CID | 17984845 |
|---|---|
| CAS | 174913-09-8 |
| Molecular Weight (g/mol) | 221.478 |
| MDL Number | MFCD03790889 |
| SMILES | COC1=C(C=CC(=C1)Cl)Br |
| Synonym | 2-bromo-5-chloroanisole,benzene, 1-bromo-4-chloro-2-methoxy,pubchem5265,acmc-1c20c,ksc497i0p,2-bromo-5-chloroanisole, 98+%,2-methoxy-4-chloro-1-bromobenzene,1-bromo-4-chloro-2-methoxy-benzene |
| IUPAC Name | 1-bromo-4-chloro-2-methoxybenzene |
| InChI Key | CQGYLDZGJLVLMK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |
Bis(4-fluorophenyl) Sulfone 99.0+%, TCI America™
CAS: 383-29-9 Molecular Formula: C12H8F2O2S Molecular Weight (g/mol): 254.25 MDL Number: MFCD00000350 InChI Key: PLVUIVUKKJTSDM-UHFFFAOYSA-N Synonym: 4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone PubChem CID: 67842 IUPAC Name: 1-fluoro-4-(4-fluorobenzenesulfonyl)benzene SMILES: FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1
| PubChem CID | 67842 |
|---|---|
| CAS | 383-29-9 |
| Molecular Weight (g/mol) | 254.25 |
| MDL Number | MFCD00000350 |
| SMILES | FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1 |
| Synonym | 4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone |
| IUPAC Name | 1-fluoro-4-(4-fluorobenzenesulfonyl)benzene |
| InChI Key | PLVUIVUKKJTSDM-UHFFFAOYSA-N |
| Molecular Formula | C12H8F2O2S |
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 |