Benzene and substituted derivatives
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2,4-Dichlorobenzylamine 98.0+%, TCI America™
CAS: 95-00-1 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00008109 InChI Key: SJUKJZSTBBSGHF-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur PubChem CID: 1485 IUPAC Name: 1-(2,4-dichlorophenyl)methanamine SMILES: NCC1=CC=C(Cl)C=C1Cl
| PubChem CID | 1485 |
|---|---|
| CAS | 95-00-1 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00008109 |
| SMILES | NCC1=CC=C(Cl)C=C1Cl |
| Synonym | 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur |
| IUPAC Name | 1-(2,4-dichlorophenyl)methanamine |
| InChI Key | SJUKJZSTBBSGHF-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
p,p'-Ditolylamine 98.0+%, TCI America™
CAS: 620-93-9 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.281 MDL Number: MFCD00059317 InChI Key: RHPVVNRNAHRJOQ-UHFFFAOYSA-N Synonym: 4,4'-dimethyldiphenylamine,di-p-tolylamine,p,p'-ditolylamine,4-methyl-n-4-methylphenyl aniline,benzenamine, 4-methyl-n-4-methylphenyl,bis 4-methylphenyl amine,4,4-dimethyldiphenylamine,dip-tolylamine,di-p-tolylamin,di-p-tolyl-amine PubChem CID: 69293 IUPAC Name: 4-methyl-N-(4-methylphenyl)aniline SMILES: CC1=CC=C(C=C1)NC2=CC=C(C=C2)C
| PubChem CID | 69293 |
|---|---|
| CAS | 620-93-9 |
| Molecular Weight (g/mol) | 197.281 |
| MDL Number | MFCD00059317 |
| SMILES | CC1=CC=C(C=C1)NC2=CC=C(C=C2)C |
| Synonym | 4,4'-dimethyldiphenylamine,di-p-tolylamine,p,p'-ditolylamine,4-methyl-n-4-methylphenyl aniline,benzenamine, 4-methyl-n-4-methylphenyl,bis 4-methylphenyl amine,4,4-dimethyldiphenylamine,dip-tolylamine,di-p-tolylamin,di-p-tolyl-amine |
| IUPAC Name | 4-methyl-N-(4-methylphenyl)aniline |
| InChI Key | RHPVVNRNAHRJOQ-UHFFFAOYSA-N |
| Molecular Formula | C14H15N |
3-Hydroxyphenylurea 97.0+%, TCI America™
CAS: 701-82-6 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007945 InChI Key: IPRCBIWIPMJXIK-UHFFFAOYSA-N Synonym: 1-3-hydroxyphenyl urea,m-hydroxyphenylurea,3-ureidophenol,urea, 3-hydroxyphenyl,3-hydroxyphenyl urea,urea, m-hydroxyphenyl,urea, n-3-hydroxyphenyl,n-carbamyl-m-aminophenol,n-3-hydroxyphenyl urea,urea,n-3-hydroxyphenyl PubChem CID: 12796 IUPAC Name: (3-hydroxyphenyl)urea SMILES: C1=CC(=CC(=C1)O)NC(=O)N
| PubChem CID | 12796 |
|---|---|
| CAS | 701-82-6 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00007945 |
| SMILES | C1=CC(=CC(=C1)O)NC(=O)N |
| Synonym | 1-3-hydroxyphenyl urea,m-hydroxyphenylurea,3-ureidophenol,urea, 3-hydroxyphenyl,3-hydroxyphenyl urea,urea, m-hydroxyphenyl,urea, n-3-hydroxyphenyl,n-carbamyl-m-aminophenol,n-3-hydroxyphenyl urea,urea,n-3-hydroxyphenyl |
| IUPAC Name | (3-hydroxyphenyl)urea |
| InChI Key | IPRCBIWIPMJXIK-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
1-Iodo-4-nitrobenzene 99.0+%, TCI America™
CAS: 636-98-6 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.007 MDL Number: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Synonym: benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I
| PubChem CID | 12495 |
|---|---|
| CAS | 636-98-6 |
| Molecular Weight (g/mol) | 249.007 |
| MDL Number | MFCD00007299 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])I |
| Synonym | benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene |
| IUPAC Name | 1-iodo-4-nitrobenzene |
| InChI Key | SCCCFNJTCDSLCY-UHFFFAOYSA-N |
| Molecular Formula | C6H4INO2 |
2,3,5,6-Tetrafluoro-1,4-phenylenediamine 98.0+%, TCI America™
CAS: 1198-64-7 Molecular Formula: C6H4F4N2 Molecular Weight (g/mol): 180.11 MDL Number: MFCD00039767 InChI Key: FVFYRXJKYAVFSB-UHFFFAOYSA-N Synonym: 1,4-Diamino-2,3,5,6-tetrafluorobenzene PubChem CID: 70979 IUPAC Name: tetrafluorobenzene-1,4-diamine SMILES: NC1=C(F)C(F)=C(N)C(F)=C1F
| PubChem CID | 70979 |
|---|---|
| CAS | 1198-64-7 |
| Molecular Weight (g/mol) | 180.11 |
| MDL Number | MFCD00039767 |
| SMILES | NC1=C(F)C(F)=C(N)C(F)=C1F |
| Synonym | 1,4-Diamino-2,3,5,6-tetrafluorobenzene |
| IUPAC Name | tetrafluorobenzene-1,4-diamine |
| InChI Key | FVFYRXJKYAVFSB-UHFFFAOYSA-N |
| Molecular Formula | C6H4F4N2 |
1-Bromo-2,5-difluorobenzene 98.0+%, TCI America™
CAS: 399-94-0 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.991 MDL Number: MFCD00000345 InChI Key: XCRCSPKQEDMVBO-UHFFFAOYSA-N Synonym: 1-bromo-2,5-difluorobenzene,2,5-difluorobromobenzene,benzene, 2-bromo-1,4-difluoro,1,4-difluoro-2-bromobenzene,2-bromo-1,4-difluoro-benzene,fr df be,pubchem2302,acmc-1ad5i,1-bromo-2,5 difluorobenzene,2,5-difluoro-1-bromobenzene PubChem CID: 67862 IUPAC Name: 2-bromo-1,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)Br)F
| PubChem CID | 67862 |
|---|---|
| CAS | 399-94-0 |
| Molecular Weight (g/mol) | 192.991 |
| MDL Number | MFCD00000345 |
| SMILES | C1=CC(=C(C=C1F)Br)F |
| Synonym | 1-bromo-2,5-difluorobenzene,2,5-difluorobromobenzene,benzene, 2-bromo-1,4-difluoro,1,4-difluoro-2-bromobenzene,2-bromo-1,4-difluoro-benzene,fr df be,pubchem2302,acmc-1ad5i,1-bromo-2,5 difluorobenzene,2,5-difluoro-1-bromobenzene |
| IUPAC Name | 2-bromo-1,4-difluorobenzene |
| InChI Key | XCRCSPKQEDMVBO-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
3,5-Difluoroaniline 98.0+%, TCI America™
CAS: 372-39-4 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007763 InChI Key: KQOIBXZRCYFZSO-UHFFFAOYSA-N Synonym: benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline PubChem CID: 96595 IUPAC Name: 3,5-difluoroaniline SMILES: C1=C(C=C(C=C1F)F)N
| PubChem CID | 96595 |
|---|---|
| CAS | 372-39-4 |
| Molecular Weight (g/mol) | 129.11 |
| MDL Number | MFCD00007763 |
| SMILES | C1=C(C=C(C=C1F)F)N |
| Synonym | benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline |
| IUPAC Name | 3,5-difluoroaniline |
| InChI Key | KQOIBXZRCYFZSO-UHFFFAOYSA-N |
| Molecular Formula | C6H5F2N |
1,2-Difluoro-4,5-dimethoxybenzene 95.0+%, TCI America™
CAS: 203059-80-7 Molecular Formula: C8H8F2O2 Molecular Weight (g/mol): 174.147 MDL Number: MFCD00070789 InChI Key: WWAOVLXLTJXDGS-UHFFFAOYSA-N Synonym: 4,5-difluoroveratrole,4,5-difluoroveratrol,pubchem3039,acmc-1ccgk,1,2-difluoro-4,5-dimethoxy-benzene,benzene,1,2-difluoro-4,5-dimethoxy,1,2-bis fluoranyl-4,5-dimethoxy-benzene,1,2-difluoro-4,5-dimethoxybenzene PubChem CID: 853175 IUPAC Name: 1,2-difluoro-4,5-dimethoxybenzene SMILES: COC1=CC(=C(C=C1OC)F)F
| PubChem CID | 853175 |
|---|---|
| CAS | 203059-80-7 |
| Molecular Weight (g/mol) | 174.147 |
| MDL Number | MFCD00070789 |
| SMILES | COC1=CC(=C(C=C1OC)F)F |
| Synonym | 4,5-difluoroveratrole,4,5-difluoroveratrol,pubchem3039,acmc-1ccgk,1,2-difluoro-4,5-dimethoxy-benzene,benzene,1,2-difluoro-4,5-dimethoxy,1,2-bis fluoranyl-4,5-dimethoxy-benzene,1,2-difluoro-4,5-dimethoxybenzene |
| IUPAC Name | 1,2-difluoro-4,5-dimethoxybenzene |
| InChI Key | WWAOVLXLTJXDGS-UHFFFAOYSA-N |
| Molecular Formula | C8H8F2O2 |
3-(4-Fluorophenyl)-5-methylisoxazol-4-carboxylic Acid 98.0+%, TCI America™
CAS: 1736-21-6 Molecular Formula: C11H8FNO3 Molecular Weight (g/mol): 221.19 MDL Number: MFCD03407356 InChI Key: PDEGBONVUJDOFN-UHFFFAOYSA-N PubChem CID: 2780709 IUPAC Name: 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(O)=O)C(=NO1)C1=CC=C(F)C=C1
| PubChem CID | 2780709 |
|---|---|
| CAS | 1736-21-6 |
| Molecular Weight (g/mol) | 221.19 |
| MDL Number | MFCD03407356 |
| SMILES | CC1=C(C(O)=O)C(=NO1)C1=CC=C(F)C=C1 |
| IUPAC Name | 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid |
| InChI Key | PDEGBONVUJDOFN-UHFFFAOYSA-N |
| Molecular Formula | C11H8FNO3 |
| PubChem CID | 3549395 |
|---|---|
| CAS | 313545-32-3 |
| MDL Number | MFCD04039892 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2-chloro-6-fluorophenyl)boronic acid |
| InChI Key | NXSZSZJWZVLHAY-UHFFFAOYSA-N |
| Molecular Formula | C6H5BClFO2 |
| Formula Weight | 174.36 |
| Melting Point | 135°C |
3-Amino-4-methylbenzoic Acid 98.0+%, TCI America™
CAS: 2458-12-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007742 InChI Key: XKFIFYROMAAUDL-UHFFFAOYSA-N Synonym: 3-amino-p-toluic acid,3-amino-4-methyl-benzoic acid,benzoic acid, 3-amino-4-methyl,3-amino-4-methylbenzoicacid,benzoic acid, 3-amino-4-methyl-9ci,pubchem8194,3-amino-4-toluic acid,rarechem al bo 1039,h-3 atl 4-oh,h-3 abz 4-me-oh PubChem CID: 75568 IUPAC Name: 3-amino-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)C(=O)O)N
| PubChem CID | 75568 |
|---|---|
| CAS | 2458-12-0 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00007742 |
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N |
| Synonym | 3-amino-p-toluic acid,3-amino-4-methyl-benzoic acid,benzoic acid, 3-amino-4-methyl,3-amino-4-methylbenzoicacid,benzoic acid, 3-amino-4-methyl-9ci,pubchem8194,3-amino-4-toluic acid,rarechem al bo 1039,h-3 atl 4-oh,h-3 abz 4-me-oh |
| IUPAC Name | 3-amino-4-methylbenzoic acid |
| InChI Key | XKFIFYROMAAUDL-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
5-Amino-2-methylbenzoic Acid 98.0+%, TCI America™
CAS: 2840-04-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD06208351 InChI Key: FSXVZWAWYKMFMX-UHFFFAOYSA-N Synonym: 5-amino-2-methyl-benzoic acid,5-amino-2-methyl benzoic acid,2-methyl-5-aminobenzoic acid,5-amino-o-toluic acid,5-amino-2-methylbenzoicacid,benzoic acid, 5-amino-2-methyl,pubchem4980,3-amino-6-methylbenzoic acid,ksc494q3t,2-methyl-5-amino benzoic acid PubChem CID: 10374614 IUPAC Name: 5-amino-2-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)N)C(=O)O
| PubChem CID | 10374614 |
|---|---|
| CAS | 2840-04-2 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD06208351 |
| SMILES | CC1=C(C=C(C=C1)N)C(=O)O |
| Synonym | 5-amino-2-methyl-benzoic acid,5-amino-2-methyl benzoic acid,2-methyl-5-aminobenzoic acid,5-amino-o-toluic acid,5-amino-2-methylbenzoicacid,benzoic acid, 5-amino-2-methyl,pubchem4980,3-amino-6-methylbenzoic acid,ksc494q3t,2-methyl-5-amino benzoic acid |
| IUPAC Name | 5-amino-2-methylbenzoic acid |
| InChI Key | FSXVZWAWYKMFMX-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
4-Guanidinobenzoic Acid Hydrochloride 97.0+%, TCI America™
CAS: 42823-46-1 Molecular Formula: C8H10ClN3O2 Molecular Weight (g/mol): 215.637 MDL Number: MFCD00040587 InChI Key: YETFLAUJROGBMC-UHFFFAOYSA-N Synonym: 4-guanidinobenzoic acid hydrochloride,n-4-carboxyphenyl guanidine hydrochloride,4-guanidinobenzoic acid hcl,4-guanidino benzoic acid hydrochloride,4-amidinoamino benzoic acid, chloride,pubchem14981,pubchem14993,acmc-1an3m,ksc494a0j,4-guanidino-benzoic acid-hcl salt PubChem CID: 3084875 IUPAC Name: 4-(diaminomethylideneamino)benzoic acid;hydrochloride SMILES: C1=CC(=CC=C1C(=O)O)N=C(N)N.Cl
| PubChem CID | 3084875 |
|---|---|
| CAS | 42823-46-1 |
| Molecular Weight (g/mol) | 215.637 |
| MDL Number | MFCD00040587 |
| SMILES | C1=CC(=CC=C1C(=O)O)N=C(N)N.Cl |
| Synonym | 4-guanidinobenzoic acid hydrochloride,n-4-carboxyphenyl guanidine hydrochloride,4-guanidinobenzoic acid hcl,4-guanidino benzoic acid hydrochloride,4-amidinoamino benzoic acid, chloride,pubchem14981,pubchem14993,acmc-1an3m,ksc494a0j,4-guanidino-benzoic acid-hcl salt |
| IUPAC Name | 4-(diaminomethylideneamino)benzoic acid;hydrochloride |
| InChI Key | YETFLAUJROGBMC-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClN3O2 |
4-(4-Methylpiperazinyl)benzoic Acid 98.0+%, TCI America™
CAS: 86620-62-4 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.272 MDL Number: MFCD02682063 InChI Key: UCFZVQHKTRSZMM-UHFFFAOYSA-N Synonym: 4-4-methylpiperazin-1-yl benzoic acid,4-4-methylpiperazino benzoic acid,4-4-methyl-piperazin-1-yl-benzoic acid,4-4-methylpiperazinyl benzoic acid,4-4-methyl-piperazino benzoic acid,benzoic acid, 4-4-methyl-1-piperazinyl,4-4-methyl-1-piperazinyl benzoic acid,pubchem10481,ksc448o3p PubChem CID: 736532 IUPAC Name: 4-(4-methylpiperazin-1-yl)benzoic acid SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 736532 |
|---|---|
| CAS | 86620-62-4 |
| Molecular Weight (g/mol) | 220.272 |
| MDL Number | MFCD02682063 |
| SMILES | CN1CCN(CC1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-4-methylpiperazin-1-yl benzoic acid,4-4-methylpiperazino benzoic acid,4-4-methyl-piperazin-1-yl-benzoic acid,4-4-methylpiperazinyl benzoic acid,4-4-methyl-piperazino benzoic acid,benzoic acid, 4-4-methyl-1-piperazinyl,4-4-methyl-1-piperazinyl benzoic acid,pubchem10481,ksc448o3p |
| IUPAC Name | 4-(4-methylpiperazin-1-yl)benzoic acid |
| InChI Key | UCFZVQHKTRSZMM-UHFFFAOYSA-N |
| Molecular Formula | C12H16N2O2 |