Benzene and substituted derivatives
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1,2-Dibromo-4,5-dimethoxybenzene 98.0+%, TCI America™
CAS: 37895-73-1 Molecular Formula: C8H8Br2O2 Molecular Weight (g/mol): 295.958 MDL Number: MFCD00014894 InChI Key: ZYCLQXMMFJREPJ-UHFFFAOYSA-N Synonym: 4,5-dibromoveratrole,4,5-dibromoveratrol,benzene, 1,2-dibromo-4,5-dimethoxy,acmc-1aeu5,amth147,1.2-dibromo-4.5-dimethoxy-benzene,1,2-bis bromanyl-4,5-dimethoxy-benzene PubChem CID: 2758033 IUPAC Name: 1,2-dibromo-4,5-dimethoxybenzene SMILES: COC1=CC(=C(C=C1OC)Br)Br
| PubChem CID | 2758033 |
|---|---|
| CAS | 37895-73-1 |
| Molecular Weight (g/mol) | 295.958 |
| MDL Number | MFCD00014894 |
| SMILES | COC1=CC(=C(C=C1OC)Br)Br |
| Synonym | 4,5-dibromoveratrole,4,5-dibromoveratrol,benzene, 1,2-dibromo-4,5-dimethoxy,acmc-1aeu5,amth147,1.2-dibromo-4.5-dimethoxy-benzene,1,2-bis bromanyl-4,5-dimethoxy-benzene |
| IUPAC Name | 1,2-dibromo-4,5-dimethoxybenzene |
| InChI Key | ZYCLQXMMFJREPJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2O2 |
2,4,6-Tris(3,4,5-trifluorophenyl)boroxin 98.0+%, TCI America™
CAS: 223440-94-6 Molecular Formula: C18H6B3F9O3 Molecular Weight (g/mol): 473.659 MDL Number: MFCD03844809 InChI Key: SXINGRFBONUWIF-UHFFFAOYSA-N Synonym: 3,4,5-Trifluorophenylboronic Anhydride, Tris(3,4,5-trifluorophenyl)cycloboroxane PubChem CID: 20654586 IUPAC Name: 2,4,6-tris(3,4,5-trifluorophenyl)-1,3,5,2,4,6-trioxatriborinane SMILES: B1(OB(OB(O1)C2=CC(=C(C(=C2)F)F)F)C3=CC(=C(C(=C3)F)F)F)C4=CC(=C(C(=C4)F)F)F
| PubChem CID | 20654586 |
|---|---|
| CAS | 223440-94-6 |
| Molecular Weight (g/mol) | 473.659 |
| MDL Number | MFCD03844809 |
| SMILES | B1(OB(OB(O1)C2=CC(=C(C(=C2)F)F)F)C3=CC(=C(C(=C3)F)F)F)C4=CC(=C(C(=C4)F)F)F |
| Synonym | 3,4,5-Trifluorophenylboronic Anhydride, Tris(3,4,5-trifluorophenyl)cycloboroxane |
| IUPAC Name | 2,4,6-tris(3,4,5-trifluorophenyl)-1,3,5,2,4,6-trioxatriborinane |
| InChI Key | SXINGRFBONUWIF-UHFFFAOYSA-N |
| Molecular Formula | C18H6B3F9O3 |
1-Bromo-3-hexylbenzene 98.0+%, TCI America™
CAS: 38409-59-5 Molecular Formula: C12H17Br Molecular Weight (g/mol): 241.172 MDL Number: MFCD09909567 InChI Key: HZUVRCRPECDFAT-UHFFFAOYSA-N Synonym: 1-bromo-3-n-hexylbenzene,1-bromo-3-hexyl-benzene,3-hexylbromobenzene,3-n-hexyl bromobenzene,#,benzene, 1-bromo-3-hexyl PubChem CID: 563022 IUPAC Name: 1-bromo-3-hexylbenzene SMILES: CCCCCCC1=CC(=CC=C1)Br
| PubChem CID | 563022 |
|---|---|
| CAS | 38409-59-5 |
| Molecular Weight (g/mol) | 241.172 |
| MDL Number | MFCD09909567 |
| SMILES | CCCCCCC1=CC(=CC=C1)Br |
| Synonym | 1-bromo-3-n-hexylbenzene,1-bromo-3-hexyl-benzene,3-hexylbromobenzene,3-n-hexyl bromobenzene,#,benzene, 1-bromo-3-hexyl |
| IUPAC Name | 1-bromo-3-hexylbenzene |
| InChI Key | HZUVRCRPECDFAT-UHFFFAOYSA-N |
| Molecular Formula | C12H17Br |
4,5-Diazafluorene-9-one O-(p-Toluenesulfonyl)oxime 98.0+%, TCI America™
CAS: 1655490-79-1 Molecular Formula: C18H13N3O3S Molecular Weight (g/mol): 351.38 InChI Key: UWCROCJSYGJGEJ-UHFFFAOYSA-N Synonym: 4,5-Diazafluorene-9-one O-Tosyloxime PubChem CID: 91972099 SMILES: CC1=CC=C(C=C1)S(=O)(=O)ON=C2C3=C(C4=C2C=CC=N4)N=CC=C3
| PubChem CID | 91972099 |
|---|---|
| CAS | 1655490-79-1 |
| Molecular Weight (g/mol) | 351.38 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)ON=C2C3=C(C4=C2C=CC=N4)N=CC=C3 |
| Synonym | 4,5-Diazafluorene-9-one O-Tosyloxime |
| InChI Key | UWCROCJSYGJGEJ-UHFFFAOYSA-N |
| Molecular Formula | C18H13N3O3S |
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 |
Benzyl Salicylate 99.0+%, TCI America™
CAS: 118-58-1 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00020034 InChI Key: ZCTQGTTXIYCGGC-UHFFFAOYSA-N Synonym: benzyl salicylate,benzyl o-hydroxybenzoate,salicylic acid, benzyl ester,benzoic acid, 2-hydroxy-, phenylmethyl ester,phenylmethyl 2-hydroxybenzoate,salicylic acid benzyl ester,salicyclic acid, benzyl ester,salicylsaeurebenzylester,unii-wao5mnk9tu,salicyclic acid benzyl ester PubChem CID: 8363 IUPAC Name: benzyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
| PubChem CID | 8363 |
|---|---|
| CAS | 118-58-1 |
| Molecular Weight (g/mol) | 228.247 |
| MDL Number | MFCD00020034 |
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O |
| Synonym | benzyl salicylate,benzyl o-hydroxybenzoate,salicylic acid, benzyl ester,benzoic acid, 2-hydroxy-, phenylmethyl ester,phenylmethyl 2-hydroxybenzoate,salicylic acid benzyl ester,salicyclic acid, benzyl ester,salicylsaeurebenzylester,unii-wao5mnk9tu,salicyclic acid benzyl ester |
| IUPAC Name | benzyl 2-hydroxybenzoate |
| InChI Key | ZCTQGTTXIYCGGC-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
4-Methylbenzohydrazide 98.0+%, TCI America™
CAS: 3619-22-5 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00007607 InChI Key: MFFVZXOPRXMVET-UHFFFAOYSA-N Synonym: p-toluic hydrazide,p-toluic acid hydrazide,p-toluoylhydrazine,4-methylbenzoylhydrazine,p-toluic acid, hydrazide,4-methylbenzoic acid hydrazide,p-methylbenzohydrazide,p-toluohydrazide,p-methylbenzoylhydrazine,4-toluic acid hydrazide PubChem CID: 77174 IUPAC Name: 4-methylbenzohydrazide SMILES: CC1=CC=C(C=C1)C(=O)NN
| PubChem CID | 77174 |
|---|---|
| CAS | 3619-22-5 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00007607 |
| SMILES | CC1=CC=C(C=C1)C(=O)NN |
| Synonym | p-toluic hydrazide,p-toluic acid hydrazide,p-toluoylhydrazine,4-methylbenzoylhydrazine,p-toluic acid, hydrazide,4-methylbenzoic acid hydrazide,p-methylbenzohydrazide,p-toluohydrazide,p-methylbenzoylhydrazine,4-toluic acid hydrazide |
| IUPAC Name | 4-methylbenzohydrazide |
| InChI Key | MFFVZXOPRXMVET-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
4-Bromo-2-nitrophenylacetic Acid 97.0+%, TCI America™
CAS: 6127-11-3 Molecular Formula: C8H5BrNO4 Molecular Weight (g/mol): 259.04 MDL Number: MFCD05663950 InChI Key: LBZPHZBNFDOCCR-UHFFFAOYSA-M PubChem CID: 271551 SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])CC(=O)O
| PubChem CID | 271551 |
|---|---|
| CAS | 6127-11-3 |
| Molecular Weight (g/mol) | 259.04 |
| MDL Number | MFCD05663950 |
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])CC(=O)O |
| InChI Key | LBZPHZBNFDOCCR-UHFFFAOYSA-M |
| Molecular Formula | C8H5BrNO4 |
4-Butylbenzyl Bromide 97.0+%, TCI America™
CAS: 10531-16-5 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.145 InChI Key: XNQBGVFFKGZXJH-UHFFFAOYSA-N PubChem CID: 12150840 IUPAC Name: 1-(bromomethyl)-4-butylbenzene SMILES: CCCCC1=CC=C(C=C1)CBr
| PubChem CID | 12150840 |
|---|---|
| CAS | 10531-16-5 |
| Molecular Weight (g/mol) | 227.145 |
| SMILES | CCCCC1=CC=C(C=C1)CBr |
| IUPAC Name | 1-(bromomethyl)-4-butylbenzene |
| InChI Key | XNQBGVFFKGZXJH-UHFFFAOYSA-N |
| Molecular Formula | C11H15Br |
2-Bromo-1-chloro-4-fluorobenzene 98.0+%, TCI America™
CAS: 201849-15-2 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00061120 InChI Key: FOCCSIJMXBTKHD-UHFFFAOYSA-N Synonym: 2-chloro-5-fluorobromobenzene,1-bromo-2-chloro-5-fluorobenzene,3-bromo-4-chlorofluorobenzene,2-bromo-1-chloro-4-fluoro-benzene,benzene, 2-bromo-1-chloro-4-fluoro,pubchem4270,acmc-209f6i,ksc494o8h,1-chloro-2-bromo-4-fluorobenzene,2-bromo-4-fluorochlorobenzene PubChem CID: 2773263 IUPAC Name: 2-bromo-1-chloro-4-fluorobenzene SMILES: FC1=CC(Br)=C(Cl)C=C1
| PubChem CID | 2773263 |
|---|---|
| CAS | 201849-15-2 |
| Molecular Weight (g/mol) | 209.44 |
| MDL Number | MFCD00061120 |
| SMILES | FC1=CC(Br)=C(Cl)C=C1 |
| Synonym | 2-chloro-5-fluorobromobenzene,1-bromo-2-chloro-5-fluorobenzene,3-bromo-4-chlorofluorobenzene,2-bromo-1-chloro-4-fluoro-benzene,benzene, 2-bromo-1-chloro-4-fluoro,pubchem4270,acmc-209f6i,ksc494o8h,1-chloro-2-bromo-4-fluorobenzene,2-bromo-4-fluorochlorobenzene |
| IUPAC Name | 2-bromo-1-chloro-4-fluorobenzene |
| InChI Key | FOCCSIJMXBTKHD-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
5-Bromo-2-fluoroaniline 95.0+%, TCI America™
CAS: 2924-09-6 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.02 MDL Number: MFCD03094181 InChI Key: ADWKOCXRCRSMLQ-UHFFFAOYSA-N Synonym: 5-bromo-2-fluorobenzenamine,2-fluoro-5-bromoaniline,5-bromo-2-fluoro aniline,5-bromo-2-fluorophenylamine,benzenamine, 5-bromo-2-fluoro,5-bromo-2-fluoro-phenylamine,1-amino-5-bromo-2-fluorobenzene,5-bromo-2fluoroaniline,pubchem13482,acmc-1cjje PubChem CID: 2769407 IUPAC Name: 5-bromo-2-fluoroaniline SMILES: C1=CC(=C(C=C1Br)N)F
| PubChem CID | 2769407 |
|---|---|
| CAS | 2924-09-6 |
| Molecular Weight (g/mol) | 190.02 |
| MDL Number | MFCD03094181 |
| SMILES | C1=CC(=C(C=C1Br)N)F |
| Synonym | 5-bromo-2-fluorobenzenamine,2-fluoro-5-bromoaniline,5-bromo-2-fluoro aniline,5-bromo-2-fluorophenylamine,benzenamine, 5-bromo-2-fluoro,5-bromo-2-fluoro-phenylamine,1-amino-5-bromo-2-fluorobenzene,5-bromo-2fluoroaniline,pubchem13482,acmc-1cjje |
| IUPAC Name | 5-bromo-2-fluoroaniline |
| InChI Key | ADWKOCXRCRSMLQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
2-Formylbenzonitrile 99.0+%, TCI America™
CAS: 7468-67-9 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00017503 InChI Key: QVTPWONEVZJCCS-UHFFFAOYSA-N Synonym: 2-cyanobenzaldehyde,o-cyanobenzaldehyde,benzonitrile, 2-formyl,cyanobenzaldehyde,2-formylbenzenecarbonitrile,2-cyano-benzaldehyde,2-formyl-benzonitrile,pubchem7409,#,acmc-1blgc PubChem CID: 101209 IUPAC Name: 2-formylbenzonitrile SMILES: O=CC1=CC=CC=C1C#N
| PubChem CID | 101209 |
|---|---|
| CAS | 7468-67-9 |
| Molecular Weight (g/mol) | 131.13 |
| MDL Number | MFCD00017503 |
| SMILES | O=CC1=CC=CC=C1C#N |
| Synonym | 2-cyanobenzaldehyde,o-cyanobenzaldehyde,benzonitrile, 2-formyl,cyanobenzaldehyde,2-formylbenzenecarbonitrile,2-cyano-benzaldehyde,2-formyl-benzonitrile,pubchem7409,#,acmc-1blgc |
| IUPAC Name | 2-formylbenzonitrile |
| InChI Key | QVTPWONEVZJCCS-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO |
N,N-Diethyl-m-toluamide 98.0+%, TCI America™
CAS: 134-62-3 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD00009046 InChI Key: MMOXZBCLCQITDF-UHFFFAOYSA-N Synonym: deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan PubChem CID: 4284 ChEBI: CHEBI:7071 IUPAC Name: N,N-diethyl-3-methylbenzamide SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)C
| PubChem CID | 4284 |
|---|---|
| CAS | 134-62-3 |
| Molecular Weight (g/mol) | 191.274 |
| ChEBI | CHEBI:7071 |
| MDL Number | MFCD00009046 |
| SMILES | CCN(CC)C(=O)C1=CC(=CC=C1)C |
| Synonym | deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan |
| IUPAC Name | N,N-diethyl-3-methylbenzamide |
| InChI Key | MMOXZBCLCQITDF-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
4-Acetamidobenzoic Acid 98.0+%, TCI America™
CAS: 556-08-1 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002534 InChI Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N Synonym: acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid PubChem CID: 19266 ChEBI: CHEBI:46171 IUPAC Name: 4-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)O
| PubChem CID | 19266 |
|---|---|
| CAS | 556-08-1 |
| Molecular Weight (g/mol) | 179.175 |
| ChEBI | CHEBI:46171 |
| MDL Number | MFCD00002534 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)O |
| Synonym | acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid |
| IUPAC Name | 4-acetamidobenzoic acid |
| InChI Key | QCXJEYYXVJIFCE-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
2-Amino-N-methylbenzamide 98.0+%, TCI America™
CAS: 4141-08-6 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00060602 InChI Key: KIMWOULVHFLJIU-UHFFFAOYSA-N Synonym: 2-Aminobenzoylmethylamide PubChem CID: 308072 ChEBI: CHEBI:81147 IUPAC Name: 2-amino-N-methylbenzamide SMILES: CNC(=O)C1=CC=CC=C1N
| PubChem CID | 308072 |
|---|---|
| CAS | 4141-08-6 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:81147 |
| MDL Number | MFCD00060602 |
| SMILES | CNC(=O)C1=CC=CC=C1N |
| Synonym | 2-Aminobenzoylmethylamide |
| IUPAC Name | 2-amino-N-methylbenzamide |
| InChI Key | KIMWOULVHFLJIU-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |