Benzene and substituted derivatives
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Phenacetin 99.0+%, TCI America™
CAS: 62-44-2 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 InChI Key: CPJSUEIXXCENMM-UHFFFAOYSA-N Synonym: phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin PubChem CID: 4754 ChEBI: CHEBI:8050 IUPAC Name: N-(4-ethoxyphenyl)acetamide SMILES: CCOC1=CC=C(C=C1)NC(=O)C
| PubChem CID | 4754 |
|---|---|
| CAS | 62-44-2 |
| Molecular Weight (g/mol) | 179.219 |
| ChEBI | CHEBI:8050 |
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C |
| Synonym | phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin |
| IUPAC Name | N-(4-ethoxyphenyl)acetamide |
| InChI Key | CPJSUEIXXCENMM-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
o-Acetotoluidine 98.0+%, TCI America™
CAS: 120-66-1 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00014961 InChI Key: BPEXTIMJLDWDTL-UHFFFAOYSA-N Synonym: o-acetotoluidide,2'-methylacetanilide,n-o-tolyl acetamide,n-2-methylphenyl acetamide,acetyl-o-toluidine,n-acetyl-o-toluidine,o-acetotoluide,acetamide, n-2-methylphenyl,o-methylacetanilide,n-o-tolylacetamide PubChem CID: 8443 IUPAC Name: N-(2-methylphenyl)acetamide SMILES: CC1=CC=CC=C1NC(=O)C
| PubChem CID | 8443 |
|---|---|
| CAS | 120-66-1 |
| Molecular Weight (g/mol) | 149.193 |
| MDL Number | MFCD00014961 |
| SMILES | CC1=CC=CC=C1NC(=O)C |
| Synonym | o-acetotoluidide,2'-methylacetanilide,n-o-tolyl acetamide,n-2-methylphenyl acetamide,acetyl-o-toluidine,n-acetyl-o-toluidine,o-acetotoluide,acetamide, n-2-methylphenyl,o-methylacetanilide,n-o-tolylacetamide |
| IUPAC Name | N-(2-methylphenyl)acetamide |
| InChI Key | BPEXTIMJLDWDTL-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
4'-Amino-3'-(trifluoromethyl)acetanilide 98.0+%, TCI America™
CAS: 1579-89-1 Molecular Formula: C9H9F3N2O Molecular Weight (g/mol): 218.18 MDL Number: MFCD00270762 InChI Key: QMCLCXKXDXBQLB-UHFFFAOYSA-N Synonym: 5-Acetamido-2-aminobenzotrifluoride, 4-Acetamido-2-(trifluoromethyl)aniline PubChem CID: 16227548 IUPAC Name: N-[4-amino-3-(trifluoromethyl)phenyl]acetamide SMILES: CC(=O)NC1=CC(=C(N)C=C1)C(F)(F)F
| PubChem CID | 16227548 |
|---|---|
| CAS | 1579-89-1 |
| Molecular Weight (g/mol) | 218.18 |
| MDL Number | MFCD00270762 |
| SMILES | CC(=O)NC1=CC(=C(N)C=C1)C(F)(F)F |
| Synonym | 5-Acetamido-2-aminobenzotrifluoride, 4-Acetamido-2-(trifluoromethyl)aniline |
| IUPAC Name | N-[4-amino-3-(trifluoromethyl)phenyl]acetamide |
| InChI Key | QMCLCXKXDXBQLB-UHFFFAOYSA-N |
| Molecular Formula | C9H9F3N2O |
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'-Nitro-3'-(trifluoromethyl)acetanilide 98.0+%, TCI America™
CAS: 393-12-4 Molecular Formula: C9H7F3N2O3 Molecular Weight (g/mol): 248.161 MDL Number: MFCD00017994 InChI Key: MIHJCLQINRFOLX-UHFFFAOYSA-N PubChem CID: 246769 IUPAC Name: N-[4-nitro-3-(trifluoromethyl)phenyl]acetamide SMILES: CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
| PubChem CID | 246769 |
|---|---|
| CAS | 393-12-4 |
| Molecular Weight (g/mol) | 248.161 |
| MDL Number | MFCD00017994 |
| SMILES | CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F |
| IUPAC Name | N-[4-nitro-3-(trifluoromethyl)phenyl]acetamide |
| InChI Key | MIHJCLQINRFOLX-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3N2O3 |
1-(3-Acetamidophenyl)-5-mercaptotetrazole 98.0+%, TCI America™
CAS: 14070-48-5 Molecular Formula: C9H9N5OS Molecular Weight (g/mol): 235.27 MDL Number: MFCD00603728 InChI Key: SCWKACOBHZIKDI-UHFFFAOYSA-N PubChem CID: 712430 IUPAC Name: N-[3-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide SMILES: CC(=O)NC1=CC=CC(=C1)N1NN=NC1=S
| PubChem CID | 712430 |
|---|---|
| CAS | 14070-48-5 |
| Molecular Weight (g/mol) | 235.27 |
| MDL Number | MFCD00603728 |
| SMILES | CC(=O)NC1=CC=CC(=C1)N1NN=NC1=S |
| IUPAC Name | N-[3-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide |
| InChI Key | SCWKACOBHZIKDI-UHFFFAOYSA-N |
| Molecular Formula | C9H9N5OS |
N,N'-Diacetyl-1,4-phenylenediamine 98.0+%, TCI America™
CAS: 140-50-1 Molecular Formula: C10H12N2O2 Molecular Weight (g/mol): 192.218 MDL Number: MFCD00026142 InChI Key: KVEDKKLZCJBVNP-UHFFFAOYSA-N Synonym: 1,4-diacetamidobenzene,n,n'-diacetyl-1,4-phenylenediamine,n,n'-p-phenylenebisacetamide,p-phenylenediacetamide,n,n'-diacetyl-p-phenylenediamine,4'-acetamidoacetanilide,1,4-bisacetamidobenzene,acetamide, n,n'-1,4-phenylenebis,n-4-acetamidophenyl acetamide,n,n'-p-phenylene di acetamide PubChem CID: 67324 IUPAC Name: N-(4-acetamidophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)C
| PubChem CID | 67324 |
|---|---|
| CAS | 140-50-1 |
| Molecular Weight (g/mol) | 192.218 |
| MDL Number | MFCD00026142 |
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)C |
| Synonym | 1,4-diacetamidobenzene,n,n'-diacetyl-1,4-phenylenediamine,n,n'-p-phenylenebisacetamide,p-phenylenediacetamide,n,n'-diacetyl-p-phenylenediamine,4'-acetamidoacetanilide,1,4-bisacetamidobenzene,acetamide, n,n'-1,4-phenylenebis,n-4-acetamidophenyl acetamide,n,n'-p-phenylene di acetamide |
| IUPAC Name | N-(4-acetamidophenyl)acetamide |
| InChI Key | KVEDKKLZCJBVNP-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O2 |
3-Hydroxy-2-naphthoic Acid 2-Chloroanilide 98.0+%, TCI America™
CAS: 6704-40-1 Molecular Formula: C17H12ClNO2 Molecular Weight (g/mol): 297.738 MDL Number: MFCD00191652 InChI Key: KLNUTTQQHSRBIE-UHFFFAOYSA-N Synonym: N-(2-Chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide, 2-Hydroxy-3-naphthoic Acid 2-Chlorophenylamide PubChem CID: 598489 IUPAC Name: N-(2-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC=C3Cl)O
| PubChem CID | 598489 |
|---|---|
| CAS | 6704-40-1 |
| Molecular Weight (g/mol) | 297.738 |
| MDL Number | MFCD00191652 |
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC=C3Cl)O |
| Synonym | N-(2-Chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide, 2-Hydroxy-3-naphthoic Acid 2-Chlorophenylamide |
| IUPAC Name | N-(2-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide |
| InChI Key | KLNUTTQQHSRBIE-UHFFFAOYSA-N |
| Molecular Formula | C17H12ClNO2 |
3,4-Dichlorobenzamide 98.0+%, TCI America™
CAS: 2670-38-4 Molecular Formula: C7H5Cl2NO Molecular Weight (g/mol): 190.02 MDL Number: MFCD00053009 InChI Key: XURBWYCGQQXTHJ-UHFFFAOYSA-N Synonym: benzamide, 3,4-dichloro,acmc-20anfl,pubchem3462,3,4-dichloro benzamide,benzamide,3,4-dichloro,3,4-bis chloranyl benzamide PubChem CID: 137671 IUPAC Name: 3,4-dichlorobenzamide SMILES: NC(=O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 137671 |
|---|---|
| CAS | 2670-38-4 |
| Molecular Weight (g/mol) | 190.02 |
| MDL Number | MFCD00053009 |
| SMILES | NC(=O)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | benzamide, 3,4-dichloro,acmc-20anfl,pubchem3462,3,4-dichloro benzamide,benzamide,3,4-dichloro,3,4-bis chloranyl benzamide |
| IUPAC Name | 3,4-dichlorobenzamide |
| InChI Key | XURBWYCGQQXTHJ-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl2NO |
Ethyl 4-Iodobenzoate 98.0+%, TCI America™
CAS: 51934-41-9 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.07 MDL Number: MFCD00017344 InChI Key: YCBJOQUNPLTBGG-UHFFFAOYSA-N Synonym: p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate PubChem CID: 142891 IUPAC Name: ethyl 4-iodobenzoate SMILES: CCOC(=O)C1=CC=C(I)C=C1
| PubChem CID | 142891 |
|---|---|
| CAS | 51934-41-9 |
| Molecular Weight (g/mol) | 276.07 |
| MDL Number | MFCD00017344 |
| SMILES | CCOC(=O)C1=CC=C(I)C=C1 |
| Synonym | p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate |
| IUPAC Name | ethyl 4-iodobenzoate |
| InChI Key | YCBJOQUNPLTBGG-UHFFFAOYSA-N |
| Molecular Formula | C9H9IO2 |
2-Hydroxybenzoic Acid 99.5+%, TCI America™
CAS: 69-72-7 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00002439 InChI Key: YGSDEFSMJLZEOE-UHFFFAOYSA-N Synonym: salicylic acid,o-hydroxybenzoic acid,2-carboxyphenol,o-carboxyphenol,rutranex,salonil,retarder w,keralyt,duoplant,freezone PubChem CID: 338 ChEBI: CHEBI:16914 IUPAC Name: 2-hydroxybenzoic acid SMILES: OC(=O)C1=CC=CC=C1O
| PubChem CID | 338 |
|---|---|
| CAS | 69-72-7 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:16914 |
| MDL Number | MFCD00002439 |
| SMILES | OC(=O)C1=CC=CC=C1O |
| Synonym | salicylic acid,o-hydroxybenzoic acid,2-carboxyphenol,o-carboxyphenol,rutranex,salonil,retarder w,keralyt,duoplant,freezone |
| IUPAC Name | 2-hydroxybenzoic acid |
| InChI Key | YGSDEFSMJLZEOE-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
2,4,6-Trichlorobenzoyl Chloride 98.0+%, TCI America™
CAS: 4136-95-2 Molecular Formula: C7H2Cl4O Molecular Weight (g/mol): 243.89 MDL Number: MFCD00075323 InChI Key: OZGSEIVTQLXWRO-UHFFFAOYSA-N Synonym: 2,4,6-trichlorobenzoylchloride,benzoyl chloride, 2,4,6-trichloro,mi,acmc-209jk3,ksc494s2p,2,4,6-cl3c6h2cocl,2,4,6-ttrichlorobenzoyl chloride,2,4,6-trichloro benzoyl chloride,2,4,6-trichlorobenzoic acid chloride,2,4,6-tris chloranyl benzoyl chloride PubChem CID: 2733703 IUPAC Name: 2,4,6-trichlorobenzoyl chloride SMILES: ClC(=O)C1=C(Cl)C=C(Cl)C=C1Cl
| PubChem CID | 2733703 |
|---|---|
| CAS | 4136-95-2 |
| Molecular Weight (g/mol) | 243.89 |
| MDL Number | MFCD00075323 |
| SMILES | ClC(=O)C1=C(Cl)C=C(Cl)C=C1Cl |
| Synonym | 2,4,6-trichlorobenzoylchloride,benzoyl chloride, 2,4,6-trichloro,mi,acmc-209jk3,ksc494s2p,2,4,6-cl3c6h2cocl,2,4,6-ttrichlorobenzoyl chloride,2,4,6-trichloro benzoyl chloride,2,4,6-trichlorobenzoic acid chloride,2,4,6-tris chloranyl benzoyl chloride |
| IUPAC Name | 2,4,6-trichlorobenzoyl chloride |
| InChI Key | OZGSEIVTQLXWRO-UHFFFAOYSA-N |
| Molecular Formula | C7H2Cl4O |
2-Bromo-4-chlorobenzoic Acid 96.0+%, TCI America™
CAS: 936-08-3 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00672930 InChI Key: USMQLFCVCDEXAK-UHFFFAOYSA-N Synonym: 2-bromo-4-chloro-benzoic acid,benzoic acid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoicacid,pubchem4028,acmc-209rmm,p-chloro bromo benzoic acid,ksc486m1d,benzoicacid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoic acid PubChem CID: 33126 IUPAC Name: 2-bromo-4-chlorobenzoic acid SMILES: C1=CC(=C(C=C1Cl)Br)C(=O)O
| PubChem CID | 33126 |
|---|---|
| CAS | 936-08-3 |
| Molecular Weight (g/mol) | 235.461 |
| MDL Number | MFCD00672930 |
| SMILES | C1=CC(=C(C=C1Cl)Br)C(=O)O |
| Synonym | 2-bromo-4-chloro-benzoic acid,benzoic acid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoicacid,pubchem4028,acmc-209rmm,p-chloro bromo benzoic acid,ksc486m1d,benzoicacid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoic acid |
| IUPAC Name | 2-bromo-4-chlorobenzoic acid |
| InChI Key | USMQLFCVCDEXAK-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
Methyl 4-Amino-3-chlorobenzoate 97.0+%, TCI America™
CAS: 84228-44-4 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.607 MDL Number: MFCD01320686 InChI Key: WKVJBYKFGNVWLM-UHFFFAOYSA-N Synonym: 4-amino-3-chlorobenzoic acid methyl ester,4-amino-3-chloro-benzoic acid methyl ester,methyl 4-amino-3-chloro-benzoate,benzoic acid, 4-amino-3-chloro-, methyl ester,2-chloro-4-methoxycarbonyl aniline,pubchem10804,akos bb-3098,timtec-bb sbb003712,acmc-20a51m,methyl-4-amino-3-chlorobenzoate PubChem CID: 1515284 IUPAC Name: methyl 4-amino-3-chlorobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)N)Cl
| PubChem CID | 1515284 |
|---|---|
| CAS | 84228-44-4 |
| Molecular Weight (g/mol) | 185.607 |
| MDL Number | MFCD01320686 |
| SMILES | COC(=O)C1=CC(=C(C=C1)N)Cl |
| Synonym | 4-amino-3-chlorobenzoic acid methyl ester,4-amino-3-chloro-benzoic acid methyl ester,methyl 4-amino-3-chloro-benzoate,benzoic acid, 4-amino-3-chloro-, methyl ester,2-chloro-4-methoxycarbonyl aniline,pubchem10804,akos bb-3098,timtec-bb sbb003712,acmc-20a51m,methyl-4-amino-3-chlorobenzoate |
| IUPAC Name | methyl 4-amino-3-chlorobenzoate |
| InChI Key | WKVJBYKFGNVWLM-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO2 |
2-Fluoro-6-iodobenzoic Acid 98.0+%, TCI America™
CAS: 111771-08-5 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD00042289 InChI Key: CYCXAPWOBWWNRK-UHFFFAOYSA-N Synonym: 6-fluoro-2-iodobenzoic acid,benzoic acid, 2-fluoro-6-iodo,maybridge3_007452,pubchem1386,acmc-2099an,2-fluoro-6-iodobenzoicacid,2-fluoro-6-iodo benzoic acid,2-fluoro-6-iodo-benzoic acid,rarechem al bo 0280,attercop-chm at126295 PubChem CID: 2733302 IUPAC Name: 2-fluoro-6-iodobenzoic acid SMILES: C1=CC(=C(C(=C1)I)C(=O)O)F
| PubChem CID | 2733302 |
|---|---|
| CAS | 111771-08-5 |
| Molecular Weight (g/mol) | 266.01 |
| MDL Number | MFCD00042289 |
| SMILES | C1=CC(=C(C(=C1)I)C(=O)O)F |
| Synonym | 6-fluoro-2-iodobenzoic acid,benzoic acid, 2-fluoro-6-iodo,maybridge3_007452,pubchem1386,acmc-2099an,2-fluoro-6-iodobenzoicacid,2-fluoro-6-iodo benzoic acid,2-fluoro-6-iodo-benzoic acid,rarechem al bo 0280,attercop-chm at126295 |
| IUPAC Name | 2-fluoro-6-iodobenzoic acid |
| InChI Key | CYCXAPWOBWWNRK-UHFFFAOYSA-N |
| Molecular Formula | C7H4FIO2 |