Benzene and substituted derivatives
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1-Bromo-3,5-dichlorobenzene 98.0+%, TCI America™
CAS: 19752-55-7 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.894 MDL Number: MFCD00000584 InChI Key: DZHFFMWJXJBBRG-UHFFFAOYSA-N Synonym: 3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a PubChem CID: 29766 IUPAC Name: 1-bromo-3,5-dichlorobenzene SMILES: C1=C(C=C(C=C1Cl)Br)Cl
| PubChem CID | 29766 |
|---|---|
| CAS | 19752-55-7 |
| Molecular Weight (g/mol) | 225.894 |
| MDL Number | MFCD00000584 |
| SMILES | C1=C(C=C(C=C1Cl)Br)Cl |
| Synonym | 3,5-dichlorobromobenzene,benzene, 1-bromo-3,5-dichloro,1-bromo-3,5-dichloro-benzene,3,5-dichloro bromobenzene,3,5-dichloro-1-bromobenzene,attercop-chm at113311,maybridge1_000881,pubchem3612,acmc-209f1a |
| IUPAC Name | 1-bromo-3,5-dichlorobenzene |
| InChI Key | DZHFFMWJXJBBRG-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2 |
m-Toluidine 98.0+%, TCI America™
CAS: 108-44-1 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00007808 InChI Key: JJYPMNFTHPTTDI-UHFFFAOYSA-N Synonym: m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine PubChem CID: 7934 IUPAC Name: 3-methylaniline SMILES: CC1=CC=CC(N)=C1
| PubChem CID | 7934 |
|---|---|
| CAS | 108-44-1 |
| Molecular Weight (g/mol) | 107.16 |
| MDL Number | MFCD00007808 |
| SMILES | CC1=CC=CC(N)=C1 |
| Synonym | m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine |
| IUPAC Name | 3-methylaniline |
| InChI Key | JJYPMNFTHPTTDI-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Trimethylene Bis(4-aminobenzoate) 98.0+%, TCI America™
CAS: 57609-64-0 Molecular Formula: C17H18N2O4 Molecular Weight (g/mol): 314.34 MDL Number: MFCD00129765 InChI Key: YPACMOORZSDQDQ-UHFFFAOYSA-N Synonym: 1,3-Bis(4-aminobenzoyloxy)propane, 1,3-Propanediol Bis(4-aminobenzoate) PubChem CID: 93312 IUPAC Name: 3-(4-aminobenzoyloxy)propyl 4-aminobenzoate SMILES: NC1=CC=C(C=C1)C(=O)OCCCOC(=O)C1=CC=C(N)C=C1
| PubChem CID | 93312 |
|---|---|
| CAS | 57609-64-0 |
| Molecular Weight (g/mol) | 314.34 |
| MDL Number | MFCD00129765 |
| SMILES | NC1=CC=C(C=C1)C(=O)OCCCOC(=O)C1=CC=C(N)C=C1 |
| Synonym | 1,3-Bis(4-aminobenzoyloxy)propane, 1,3-Propanediol Bis(4-aminobenzoate) |
| IUPAC Name | 3-(4-aminobenzoyloxy)propyl 4-aminobenzoate |
| InChI Key | YPACMOORZSDQDQ-UHFFFAOYSA-N |
| Molecular Formula | C17H18N2O4 |
Tribromomethyl Phenyl Sulfone 97.0+%, TCI America™
CAS: 17025-47-7 Molecular Formula: C7H5Br3O2S Molecular Weight (g/mol): 392.887 MDL Number: MFCD00060068 InChI Key: DWWMSEANWMWMCB-UHFFFAOYSA-N Synonym: Phenyl Tribromomethyl Sulfone PubChem CID: 86912 IUPAC Name: tribromomethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br
| PubChem CID | 86912 |
|---|---|
| CAS | 17025-47-7 |
| Molecular Weight (g/mol) | 392.887 |
| MDL Number | MFCD00060068 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br |
| Synonym | Phenyl Tribromomethyl Sulfone |
| IUPAC Name | tribromomethylsulfonylbenzene |
| InChI Key | DWWMSEANWMWMCB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br3O2S |
2,4,6-Trimethylbenzoic Acid 98.0+%, TCI America™
CAS: 480-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00002481 InChI Key: FFFIRKXTFQCCKJ-UHFFFAOYSA-N Synonym: mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl PubChem CID: 10194 ChEBI: CHEBI:64830 IUPAC Name: 2,4,6-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C(O)=O)C(C)=C1
| PubChem CID | 10194 |
|---|---|
| CAS | 480-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:64830 |
| MDL Number | MFCD00002481 |
| SMILES | CC1=CC(C)=C(C(O)=O)C(C)=C1 |
| Synonym | mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl |
| IUPAC Name | 2,4,6-trimethylbenzoic acid |
| InChI Key | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
1,3,5-Tris(4-bromophenyl)benzene 98.0+%, TCI America™
CAS: 7511-49-1 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD00362911 InChI Key: HJQRITCAXSBOPC-UHFFFAOYSA-N Synonym: 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' PubChem CID: 232761 IUPAC Name: 1,3,5-tris(4-bromophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br
| PubChem CID | 232761 |
|---|---|
| CAS | 7511-49-1 |
| Molecular Weight (g/mol) | 543.096 |
| MDL Number | MFCD00362911 |
| SMILES | C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br |
| Synonym | 1,3,5-tris 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1':3',1-terphenyl,1,1':3',1-terphenyl, 4,4-dibromo-5'-4-bromophenyl,4'-bromo-3,5-bis 4-bromophenyl-1,1'-biphenyl,acmc-209ox3,ksc496e7d,1,3,5-tris p-bromophenyl benzene,1,3,5-tri 4-bromophenyl benzene,4,4-dibromo-5'-4-bromophenyl-1,1' |
| IUPAC Name | 1,3,5-tris(4-bromophenyl)benzene |
| InChI Key | HJQRITCAXSBOPC-UHFFFAOYSA-N |
| Molecular Formula | C24H15Br3 |
2,3,5-Trifluorobenzoic Acid 98.0+%, TCI America™
CAS: 654-87-5 Molecular Formula: C7H3F3O2 Molecular Weight (g/mol): 176.09 MDL Number: MFCD00061200 InChI Key: CPZROMDDCPPFOO-UHFFFAOYSA-N Synonym: 2,3,5-trilfluorobenzoic acid,benzoic acid, 2,3,5-trifluoro,pubchem1401,acmc-209nr1,2,3,5-trifluorobenzoicacid,ksc622o6j,2,3,5-trifluoro-benzoic acid,rarechem al bo 0710,benzoic acid,2,3,5-trifluoro,cpzromddcppfoo-uhfffaoysa PubChem CID: 2776991 IUPAC Name: 2,3,5-trifluorobenzoic acid SMILES: OC(=O)C1=CC(F)=CC(F)=C1F
| PubChem CID | 2776991 |
|---|---|
| CAS | 654-87-5 |
| Molecular Weight (g/mol) | 176.09 |
| MDL Number | MFCD00061200 |
| SMILES | OC(=O)C1=CC(F)=CC(F)=C1F |
| Synonym | 2,3,5-trilfluorobenzoic acid,benzoic acid, 2,3,5-trifluoro,pubchem1401,acmc-209nr1,2,3,5-trifluorobenzoicacid,ksc622o6j,2,3,5-trifluoro-benzoic acid,rarechem al bo 0710,benzoic acid,2,3,5-trifluoro,cpzromddcppfoo-uhfffaoysa |
| IUPAC Name | 2,3,5-trifluorobenzoic acid |
| InChI Key | CPZROMDDCPPFOO-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O2 |
4,4'-Methylenebis(2-ethyl-6-methylaniline) 98.0+%, TCI America™
CAS: 19900-72-2 Molecular Formula: C19H26N2 Molecular Weight (g/mol): 282.431 MDL Number: MFCD00191227 InChI Key: QJENIOQDYXRGLF-UHFFFAOYSA-N Synonym: Bis(4-amino-3-ethyl-5-methylphenyl)methane, 4,4′C-Diamino-3,3′C-diethyl-5,5′C-dimethyldiphenylmethane PubChem CID: 155611 IUPAC Name: 4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline SMILES: CCC1=CC(=CC(=C1N)C)CC2=CC(=C(C(=C2)CC)N)C
| PubChem CID | 155611 |
|---|---|
| CAS | 19900-72-2 |
| Molecular Weight (g/mol) | 282.431 |
| MDL Number | MFCD00191227 |
| SMILES | CCC1=CC(=CC(=C1N)C)CC2=CC(=C(C(=C2)CC)N)C |
| Synonym | Bis(4-amino-3-ethyl-5-methylphenyl)methane, 4,4′C-Diamino-3,3′C-diethyl-5,5′C-dimethyldiphenylmethane |
| IUPAC Name | 4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline |
| InChI Key | QJENIOQDYXRGLF-UHFFFAOYSA-N |
| Molecular Formula | C19H26N2 |
4-Methyl-3-nitrobenzonitrile 98.0+%, TCI America™
CAS: 939-79-7 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00031482 InChI Key: KOFBNBCOGKLUOM-UHFFFAOYSA-N Synonym: 3-nitro-4-methylbenzonitrile,3-nitro-p-tolunitrile,4-methyl-3-nitro-benzonitrile,benzonitrile, 4-methyl-3-nitro,4-cyano-2-nitrotoluene,4-methyl-3-nitrobenzenecarbonitrile,5-cyano-2-methylnitrobenzene,2-nitro-p-toluonitrile,pubchem4817,acmc-209gtb PubChem CID: 589333 IUPAC Name: 4-methyl-3-nitrobenzonitrile SMILES: CC1=C(C=C(C=C1)C#N)[N+](=O)[O-]
| PubChem CID | 589333 |
|---|---|
| CAS | 939-79-7 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00031482 |
| SMILES | CC1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
| Synonym | 3-nitro-4-methylbenzonitrile,3-nitro-p-tolunitrile,4-methyl-3-nitro-benzonitrile,benzonitrile, 4-methyl-3-nitro,4-cyano-2-nitrotoluene,4-methyl-3-nitrobenzenecarbonitrile,5-cyano-2-methylnitrobenzene,2-nitro-p-toluonitrile,pubchem4817,acmc-209gtb |
| IUPAC Name | 4-methyl-3-nitrobenzonitrile |
| InChI Key | KOFBNBCOGKLUOM-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
Methyl 2-(Bromomethyl)-3-nitrobenzoate 98.0+%, TCI America™
CAS: 98475-07-1 Molecular Formula: C9H8BrNO4 Molecular Weight (g/mol): 274.07 MDL Number: MFCD04114315 InChI Key: FCGIVHSBEKGQMZ-UHFFFAOYSA-N Synonym: methyl 2-bromomethyl-3-nitrobenzoate,2-bromomethyl-3-nitrobenzoic acid methyl ester,methyl 2-bromomethyl-3-nitro-benzoate,benzoic acid, 2-bromomethyl-3-nitro-, methyl ester,methyl 2-bromomethyl-3-nitrobenzenecarboxylate,2-bromomethyl-3-nitro benzoic acid methyl ester,methyl2-bromomethyl-3-nitrobenzoate,zlchem 474,pubchem19169 PubChem CID: 1487795 IUPAC Name: methyl 2-(bromomethyl)-3-nitrobenzoate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr
| PubChem CID | 1487795 |
|---|---|
| CAS | 98475-07-1 |
| Molecular Weight (g/mol) | 274.07 |
| MDL Number | MFCD04114315 |
| SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr |
| Synonym | methyl 2-bromomethyl-3-nitrobenzoate,2-bromomethyl-3-nitrobenzoic acid methyl ester,methyl 2-bromomethyl-3-nitro-benzoate,benzoic acid, 2-bromomethyl-3-nitro-, methyl ester,methyl 2-bromomethyl-3-nitrobenzenecarboxylate,2-bromomethyl-3-nitro benzoic acid methyl ester,methyl2-bromomethyl-3-nitrobenzoate,zlchem 474,pubchem19169 |
| IUPAC Name | methyl 2-(bromomethyl)-3-nitrobenzoate |
| InChI Key | FCGIVHSBEKGQMZ-UHFFFAOYSA-N |
| Molecular Formula | C9H8BrNO4 |
Methoxychlor 95.0+%, TCI America™
CAS: 72-43-5 Molecular Formula: C16H15Cl3O2 Molecular Weight (g/mol): 345.644 MDL Number: MFCD00000803 InChI Key: IAKOZHOLGAGEJT-UHFFFAOYSA-N Synonym: methoxychlor,p,p'-methoxychlor,dmdt,dimethoxy-ddt,methoxy-ddt,methoxcide,metox,maralate,marlate,moxie PubChem CID: 4115 ChEBI: CHEBI:6842 IUPAC Name: 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
| PubChem CID | 4115 |
|---|---|
| CAS | 72-43-5 |
| Molecular Weight (g/mol) | 345.644 |
| ChEBI | CHEBI:6842 |
| MDL Number | MFCD00000803 |
| SMILES | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl |
| Synonym | methoxychlor,p,p'-methoxychlor,dmdt,dimethoxy-ddt,methoxy-ddt,methoxcide,metox,maralate,marlate,moxie |
| IUPAC Name | 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene |
| InChI Key | IAKOZHOLGAGEJT-UHFFFAOYSA-N |
| Molecular Formula | C16H15Cl3O2 |
2,2'-Methylenebis(6-bromo-4-chlorophenol) 95.0+%, TCI America™
CAS: 15435-29-7 Molecular Formula: C13H8Br2Cl2O2 Molecular Weight (g/mol): 426.91 MDL Number: MFCD00152965 InChI Key: TYBHZVUFOINFDV-UHFFFAOYSA-N Synonym: Bis(3-bromo-5-chloro-2-hydroxyphenyl)methane, 3,3′C-Dibromo-5,5′C-dichloro-2,2′C-dihydroxydiphenylmethane, Bromochlorophen PubChem CID: 84907 IUPAC Name: 2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol SMILES: OC1=C(Br)C=C(Cl)C=C1CC1=CC(Cl)=CC(Br)=C1O
| PubChem CID | 84907 |
|---|---|
| CAS | 15435-29-7 |
| Molecular Weight (g/mol) | 426.91 |
| MDL Number | MFCD00152965 |
| SMILES | OC1=C(Br)C=C(Cl)C=C1CC1=CC(Cl)=CC(Br)=C1O |
| Synonym | Bis(3-bromo-5-chloro-2-hydroxyphenyl)methane, 3,3′C-Dibromo-5,5′C-dichloro-2,2′C-dihydroxydiphenylmethane, Bromochlorophen |
| IUPAC Name | 2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol |
| InChI Key | TYBHZVUFOINFDV-UHFFFAOYSA-N |
| Molecular Formula | C13H8Br2Cl2O2 |
Methyl 2,5-Dihydroxybenzoate 98.0+%, TCI America™
CAS: 2150-46-1 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016464 InChI Key: XGDPKUKRQHHZTH-UHFFFAOYSA-N Synonym: methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 PubChem CID: 75077 IUPAC Name: methyl 2,5-dihydroxybenzoate SMILES: COC(=O)C1=CC(O)=CC=C1O
| PubChem CID | 75077 |
|---|---|
| CAS | 2150-46-1 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00016464 |
| SMILES | COC(=O)C1=CC(O)=CC=C1O |
| Synonym | methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 |
| IUPAC Name | methyl 2,5-dihydroxybenzoate |
| InChI Key | XGDPKUKRQHHZTH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
Methyl 5-(Ethylsulfonyl)-2-methoxybenzoate 98.0+%, TCI America™
CAS: 62140-67-4 Molecular Formula: C11H14O5S Molecular Weight (g/mol): 258.288 MDL Number: MFCD01317547 InChI Key: UUARTHQJSZTOEM-UHFFFAOYSA-N Synonym: 5-(Ethylsulfonyl)-2-methoxybenzoic Acid Methyl Ester PubChem CID: 6454351 IUPAC Name: methyl 5-ethylsulfonyl-2-methoxybenzoate SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)OC
| PubChem CID | 6454351 |
|---|---|
| CAS | 62140-67-4 |
| Molecular Weight (g/mol) | 258.288 |
| MDL Number | MFCD01317547 |
| SMILES | CCS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)OC |
| Synonym | 5-(Ethylsulfonyl)-2-methoxybenzoic Acid Methyl Ester |
| IUPAC Name | methyl 5-ethylsulfonyl-2-methoxybenzoate |
| InChI Key | UUARTHQJSZTOEM-UHFFFAOYSA-N |
| Molecular Formula | C11H14O5S |
4-Methoxy-2-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 33844-21-2 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD04972109 InChI Key: DVZBWONCSHFMMM-UHFFFAOYSA-N Synonym: 2-Nitro-p-anisic Acid PubChem CID: 288657 SMILES: COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 288657 |
|---|---|
| CAS | 33844-21-2 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD04972109 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 2-Nitro-p-anisic Acid |
| InChI Key | DVZBWONCSHFMMM-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |