Benzene and substituted derivatives
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(R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl Chloride, TCI America™
CAS: 39637-99-5 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00044400 InChI Key: PAORVUMOXXAMPL-VIFPVBQESA-N Synonym: unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride PubChem CID: 3080792 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
| PubChem CID | 3080792 |
|---|---|
| CAS | 39637-99-5 |
| Molecular Weight (g/mol) | 252.62 |
| MDL Number | MFCD00044400 |
| SMILES | CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F |
| Synonym | unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride |
| IUPAC Name | (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride |
| InChI Key | PAORVUMOXXAMPL-VIFPVBQESA-N |
| Molecular Formula | C10H8ClF3O2 |
4-Nitrobenzenesulfonic Acid Hydrate 98.0+%, TCI America™
CAS: 138-42-1 Molecular Formula: C6H5NO5S Molecular Weight (g/mol): 203.17 MDL Number: MFCD09037353 InChI Key: SPXOTSHWBDUUMT-UHFFFAOYSA-N Synonym: 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi PubChem CID: 8740 IUPAC Name: 4-nitrobenzene-1-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 8740 |
|---|---|
| CAS | 138-42-1 |
| Molecular Weight (g/mol) | 203.17 |
| MDL Number | MFCD09037353 |
| SMILES | OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi |
| IUPAC Name | 4-nitrobenzene-1-sulfonic acid |
| InChI Key | SPXOTSHWBDUUMT-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO5S |
trans-Anethole 98.0+%, TCI America™
CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC
| PubChem CID | 637563 |
|---|---|
| CAS | 4180-23-8 |
| Molecular Weight (g/mol) | 148.205 |
| ChEBI | CHEBI:35616 |
| MDL Number | MFCD00009284 |
| SMILES | CC=CC1=CC=C(C=C1)OC |
| Synonym | anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI Key | RUVINXPYWBROJD-ONEGZZNKSA-N |
| Molecular Formula | C10H12O |
Ethyl 4-Aminobenzoate 99.0+%, TCI America™
CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1
| PubChem CID | 2337 |
|---|---|
| CAS | 94-09-7 |
| Molecular Weight (g/mol) | 165.19 |
| ChEBI | CHEBI:116735 |
| MDL Number | MFCD00007892 |
| SMILES | CCOC(=O)C1=CC=C(N)C=C1 |
| Synonym | benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin |
| IUPAC Name | ethyl 4-aminobenzoate |
| InChI Key | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
Bis(2,4,6-trichlorophenyl) Oxalate 98.0+%, TCI America™
CAS: 1165-91-9 Molecular Formula: C14H4Cl6O4 Molecular Weight (g/mol): 448.882 MDL Number: MFCD00043061 InChI Key: GEVPIWPYWJZSPR-UHFFFAOYSA-N Synonym: bis 2,4,6-trichlorophenyl oxalate,bis 2,4,6-trichlorophenyl ethanedioate,oxalic acid bis 2,4,6-trichlorophenyl ester,2,4,6-trichlorophenyl oxalate,ethanedioic acid, bis 2,4,6-trichlorophenyl ester,bis-tcpo,acmc-20a7jt,gevpiwpywjzspr-uhfffaoysa PubChem CID: 160567 IUPAC Name: bis(2,4,6-trichlorophenyl) oxalate SMILES: C1=C(C=C(C(=C1Cl)OC(=O)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
| PubChem CID | 160567 |
|---|---|
| CAS | 1165-91-9 |
| Molecular Weight (g/mol) | 448.882 |
| MDL Number | MFCD00043061 |
| SMILES | C1=C(C=C(C(=C1Cl)OC(=O)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl |
| Synonym | bis 2,4,6-trichlorophenyl oxalate,bis 2,4,6-trichlorophenyl ethanedioate,oxalic acid bis 2,4,6-trichlorophenyl ester,2,4,6-trichlorophenyl oxalate,ethanedioic acid, bis 2,4,6-trichlorophenyl ester,bis-tcpo,acmc-20a7jt,gevpiwpywjzspr-uhfffaoysa |
| IUPAC Name | bis(2,4,6-trichlorophenyl) oxalate |
| InChI Key | GEVPIWPYWJZSPR-UHFFFAOYSA-N |
| Molecular Formula | C14H4Cl6O4 |
Isopropyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 4191-73-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016468 InChI Key: CMHMMKSPYOOVGI-UHFFFAOYSA-N Synonym: isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester PubChem CID: 20161 IUPAC Name: propan-2-yl 4-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=C(O)C=C1
| PubChem CID | 20161 |
|---|---|
| CAS | 4191-73-5 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00016468 |
| SMILES | CC(C)OC(=O)C1=CC=C(O)C=C1 |
| Synonym | isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester |
| IUPAC Name | propan-2-yl 4-hydroxybenzoate |
| InChI Key | CMHMMKSPYOOVGI-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
1-(4-Chlorophenylsulfonyl)-3-propylurea 99.0+%, TCI America™
CAS: 94-20-2 Molecular Formula: C10H13ClN2O3S Molecular Weight (g/mol): 276.735 MDL Number: MFCD00079004 InChI Key: RKWGIWYCVPQPMF-UHFFFAOYSA-N Synonym: chlorpropamide,chloropropamide,diabinese,chlorpropamid,diabenese,glucamide,meldian,chlorodiabina,chloronase,diabeneza PubChem CID: 2727 ChEBI: CHEBI:3650 IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3-propylurea SMILES: CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl
| PubChem CID | 2727 |
|---|---|
| CAS | 94-20-2 |
| Molecular Weight (g/mol) | 276.735 |
| ChEBI | CHEBI:3650 |
| MDL Number | MFCD00079004 |
| SMILES | CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl |
| Synonym | chlorpropamide,chloropropamide,diabinese,chlorpropamid,diabenese,glucamide,meldian,chlorodiabina,chloronase,diabeneza |
| IUPAC Name | 1-(4-chlorophenyl)sulfonyl-3-propylurea |
| InChI Key | RKWGIWYCVPQPMF-UHFFFAOYSA-N |
| Molecular Formula | C10H13ClN2O3S |
4-Nitrotoluene 99.0+%, TCI America™
CAS: 99-99-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007366 InChI Key: ZPTVNYMJQHSSEA-UHFFFAOYSA-N Synonym: 4-nitrotoluene,p-nitrotoluene,4-methylnitrobenzene,4-nitrotoluol,benzene, 1-methyl-4-nitro,toluene, p-nitro,p-methylnitrobenzene,para-nitrotoluol,nitrotoluenos,nitrotoluene, p PubChem CID: 7473 ChEBI: CHEBI:35227 IUPAC Name: 1-methyl-4-nitrobenzene SMILES: CC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 7473 |
|---|---|
| CAS | 99-99-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:35227 |
| MDL Number | MFCD00007366 |
| SMILES | CC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrotoluene,p-nitrotoluene,4-methylnitrobenzene,4-nitrotoluol,benzene, 1-methyl-4-nitro,toluene, p-nitro,p-methylnitrobenzene,para-nitrotoluol,nitrotoluenos,nitrotoluene, p |
| IUPAC Name | 1-methyl-4-nitrobenzene |
| InChI Key | ZPTVNYMJQHSSEA-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Benzyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 94-18-8 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00016471 InChI Key: MOZDKDIOPSPTBH-UHFFFAOYSA-N Synonym: benzylparaben,benzyl p-hydroxybenzoate,nipabenzyl,parosept,benzyl paraben,benzyl parasept,benzyl tegosept,solbrol z,benzyl-parasept,p-hydroxybenzoic acid benzyl ester PubChem CID: 7180 ChEBI: CHEBI:34571 IUPAC Name: benzyl 4-hydroxybenzoate SMILES: OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1
| PubChem CID | 7180 |
|---|---|
| CAS | 94-18-8 |
| Molecular Weight (g/mol) | 228.25 |
| ChEBI | CHEBI:34571 |
| MDL Number | MFCD00016471 |
| SMILES | OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 |
| Synonym | benzylparaben,benzyl p-hydroxybenzoate,nipabenzyl,parosept,benzyl paraben,benzyl parasept,benzyl tegosept,solbrol z,benzyl-parasept,p-hydroxybenzoic acid benzyl ester |
| IUPAC Name | benzyl 4-hydroxybenzoate |
| InChI Key | MOZDKDIOPSPTBH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
cis-1,2-Bis(phenylsulfonyl)ethylene 95.0+%, TCI America™
CAS: 963-15-5 Molecular Formula: C14H12O4S2 Molecular Weight (g/mol): 308.366 MDL Number: MFCD00010140 InChI Key: YGBXMKGCEHIWMO-QXMHVHEDSA-N PubChem CID: 5383944 IUPAC Name: [(Z)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C=CS(=O)(=O)C2=CC=CC=C2
| PubChem CID | 5383944 |
|---|---|
| CAS | 963-15-5 |
| Molecular Weight (g/mol) | 308.366 |
| MDL Number | MFCD00010140 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C=CS(=O)(=O)C2=CC=CC=C2 |
| IUPAC Name | [(Z)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene |
| InChI Key | YGBXMKGCEHIWMO-QXMHVHEDSA-N |
| Molecular Formula | C14H12O4S2 |
o-Dianisidine 98.0+%, TCI America™
CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 MDL Number: MFCD00008372 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
| PubChem CID | 8411 |
|---|---|
| CAS | 119-90-4 |
| Molecular Weight (g/mol) | 244.294 |
| ChEBI | CHEBI:82321 |
| MDL Number | MFCD00008372 |
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N |
| Synonym | 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b |
| IUPAC Name | 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline |
| InChI Key | JRBJSXQPQWSCCF-UHFFFAOYSA-N |
| Molecular Formula | C14H16N2O2 |
1-Naphthylhydrazine Hydrochloride 90.0+%, TCI America™
CAS: 2243-56-3 Molecular Formula: C10H11ClN2 Molecular Weight (g/mol): 194.662 MDL Number: MFCD00060157 InChI Key: FYSSYOCJFZSKNW-UHFFFAOYSA-N PubChem CID: 519949 IUPAC Name: naphthalen-1-ylhydrazine;hydrochloride SMILES: C1=CC=C2C(=C1)C=CC=C2NN.Cl
| PubChem CID | 519949 |
|---|---|
| CAS | 2243-56-3 |
| Molecular Weight (g/mol) | 194.662 |
| MDL Number | MFCD00060157 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2NN.Cl |
| IUPAC Name | naphthalen-1-ylhydrazine;hydrochloride |
| InChI Key | FYSSYOCJFZSKNW-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClN2 |
3,3'-Dinitrobenzophenone 99.0+%, TCI America™
CAS: 21222-05-9 Molecular Formula: C13H8N2O5 Molecular Weight (g/mol): 272.22 MDL Number: MFCD00039740 InChI Key: BSDKBWGNIJMCID-UHFFFAOYSA-N Synonym: 3,3'-dinitrobenzophenone,bis 3-nitrophenyl methanone,methanone, bis 3-nitrophenyl,methanone, bis 3-nitrophenyl-9ci,di3-nitrophenyl ketone,3,3-dinitrobenzophenone,3,3/'-dinitrobenzophenone,acmc-1cp75,bis 3-nitrophenyl methanone #,methanone,bis 3-nitrophenyl PubChem CID: 96690 IUPAC Name: bis(3-nitrophenyl)methanone SMILES: [O-][N+](=O)C1=CC(=CC=C1)C(=O)C1=CC(=CC=C1)[N+]([O-])=O
| PubChem CID | 96690 |
|---|---|
| CAS | 21222-05-9 |
| Molecular Weight (g/mol) | 272.22 |
| MDL Number | MFCD00039740 |
| SMILES | [O-][N+](=O)C1=CC(=CC=C1)C(=O)C1=CC(=CC=C1)[N+]([O-])=O |
| Synonym | 3,3'-dinitrobenzophenone,bis 3-nitrophenyl methanone,methanone, bis 3-nitrophenyl,methanone, bis 3-nitrophenyl-9ci,di3-nitrophenyl ketone,3,3-dinitrobenzophenone,3,3/'-dinitrobenzophenone,acmc-1cp75,bis 3-nitrophenyl methanone #,methanone,bis 3-nitrophenyl |
| IUPAC Name | bis(3-nitrophenyl)methanone |
| InChI Key | BSDKBWGNIJMCID-UHFFFAOYSA-N |
| Molecular Formula | C13H8N2O5 |
(S)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl Chloride 99.0+%, TCI America™
CAS: 20445-33-4 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.617 MDL Number: MFCD00067105 InChI Key: PAORVUMOXXAMPL-SECBINFHSA-N Synonym: s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,+-mtpa-cl,unii-472va70ul4,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,s-+-a-methoxy-a-trifluoromethylphenylacetyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetylchloride,s-+-alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,+-mtpa chloride,+-mosher's chloride PubChem CID: 2724611 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F
| PubChem CID | 2724611 |
|---|---|
| CAS | 20445-33-4 |
| Molecular Weight (g/mol) | 252.617 |
| MDL Number | MFCD00067105 |
| SMILES | COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F |
| Synonym | s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,+-mtpa-cl,unii-472va70ul4,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,s-+-a-methoxy-a-trifluoromethylphenylacetyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetylchloride,s-+-alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,+-mtpa chloride,+-mosher's chloride |
| IUPAC Name | (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride |
| InChI Key | PAORVUMOXXAMPL-SECBINFHSA-N |
| Molecular Formula | C10H8ClF3O2 |
Ethyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 8434 |
|---|---|
| CAS | 120-47-8 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:86616 |
| MDL Number | MFCD00002353 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)O |
| Synonym | ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e |
| IUPAC Name | ethyl 4-hydroxybenzoate |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |