Benzene and substituted derivatives
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Chloramine T sodium salt trihydrate, 100.29%, MP Biomedicals™
CAS: 127-65-1 Molecular Formula: C7H7ClNNaO2S Molecular Weight (g/mol): 227.638 InChI Key: VDQQXEISLMTGAB-UHFFFAOYSA-N Synonym: chloramine-t,chloramine t,chloralone,chlorasan,chlorozone,acti-chlore,chloraseptine,chlorazene,chlorazone,chlorseptol PubChem CID: 3641960 ChEBI: CHEBI:53767 IUPAC Name: sodium;chloro-(4-methylphenyl)sulfonylazanide SMILES: CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]
| PubChem CID | 3641960 |
|---|---|
| CAS | 127-65-1 |
| Molecular Weight (g/mol) | 227.638 |
| ChEBI | CHEBI:53767 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+] |
| Synonym | chloramine-t,chloramine t,chloralone,chlorasan,chlorozone,acti-chlore,chloraseptine,chlorazene,chlorazone,chlorseptol |
| IUPAC Name | sodium;chloro-(4-methylphenyl)sulfonylazanide |
| InChI Key | VDQQXEISLMTGAB-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClNNaO2S |
Glimepiride
CAS: 93479-97-1 Molecular Formula: C24H34N4O5S Molecular Weight (g/mol): 490.62 MDL Number: MFCD00878417 InChI Key: WIGIZIANZCJQQY-UHFFFAOYSA-N Synonym: glimepiride,amaryl,glimepiridum,glimepirida,amarel,glimepirid,glimepride,endial,roname,glimepiridum latin PubChem CID: 3476 IUPAC Name: 3-ethyl-4-methyl-N-{2-[4-({[(4-methylcyclohexyl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide SMILES: CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O
| PubChem CID | 3476 |
|---|---|
| CAS | 93479-97-1 |
| Molecular Weight (g/mol) | 490.62 |
| MDL Number | MFCD00878417 |
| SMILES | CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O |
| Synonym | glimepiride,amaryl,glimepiridum,glimepirida,amarel,glimepirid,glimepride,endial,roname,glimepiridum latin |
| IUPAC Name | 3-ethyl-4-methyl-N-{2-[4-({[(4-methylcyclohexyl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide |
| InChI Key | WIGIZIANZCJQQY-UHFFFAOYSA-N |
| Molecular Formula | C24H34N4O5S |
2-Amino-3-methoxybenzoic acid, 98%
CAS: 3177-80-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.17 InChI Key: SXOPCLUOUFQBJV-UHFFFAOYSA-N Synonym: 3-methoxyanthranilic acid,benzoic acid, 2-amino-3-methoxy,3-methoxyanthranilate,m-anisic acid, 2-amino,3-methoxy-2-aminobenzoic acid,2-amino-3-methoxy-benzoic acid,2-amino-3-methoxy benzoic acid,2-amino-3-methyloxy benzoic acid,2-amino-3-methoxybenzoicacid PubChem CID: 255720 ChEBI: CHEBI:27440 IUPAC Name: 2-amino-3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1N)C(=O)O
| PubChem CID | 255720 |
|---|---|
| CAS | 3177-80-8 |
| Molecular Weight (g/mol) | 167.17 |
| ChEBI | CHEBI:27440 |
| SMILES | COC1=CC=CC(=C1N)C(=O)O |
| Synonym | 3-methoxyanthranilic acid,benzoic acid, 2-amino-3-methoxy,3-methoxyanthranilate,m-anisic acid, 2-amino,3-methoxy-2-aminobenzoic acid,2-amino-3-methoxy-benzoic acid,2-amino-3-methoxy benzoic acid,2-amino-3-methyloxy benzoic acid,2-amino-3-methoxybenzoicacid |
| IUPAC Name | 2-amino-3-methoxybenzoic acid |
| InChI Key | SXOPCLUOUFQBJV-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
N,N-Dimethyl-p-toluidine, 99%
CAS: 99-97-8 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008316 InChI Key: GYVGXEWAOAAJEU-UHFFFAOYSA-N Synonym: n,n-dimethyl-p-toluidine,dimethyl-p-toluidine,benzenamine, n,n,4-trimethyl,n,n-dimethyl-4-methylaniline,n,n-dimethyl-para-toluidine,4,n,n-trimethylaniline,dimethyl-4-toluidine,p-dimethylamino toluene,n,n-dimethyl-p-tolylamine,n,n,4-trimethylbenzenamine PubChem CID: 7471 IUPAC Name: N,N,4-trimethylaniline SMILES: CN(C)C1=CC=C(C)C=C1
| PubChem CID | 7471 |
|---|---|
| CAS | 99-97-8 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008316 |
| SMILES | CN(C)C1=CC=C(C)C=C1 |
| Synonym | n,n-dimethyl-p-toluidine,dimethyl-p-toluidine,benzenamine, n,n,4-trimethyl,n,n-dimethyl-4-methylaniline,n,n-dimethyl-para-toluidine,4,n,n-trimethylaniline,dimethyl-4-toluidine,p-dimethylamino toluene,n,n-dimethyl-p-tolylamine,n,n,4-trimethylbenzenamine |
| IUPAC Name | N,N,4-trimethylaniline |
| InChI Key | GYVGXEWAOAAJEU-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
Phenyl phosphorodiamidate, 97%
CAS: 7450-69-3 Molecular Formula: C6H9N2O2P Molecular Weight (g/mol): 172.124 MDL Number: MFCD00014767 InChI Key: AYRRNFHDJUXLEQ-UHFFFAOYSA-N Synonym: phenyl phosphorodiamidate,phenylphosphorodiamidate,phenyl diamidophosphate,phosphorodiamidic acid, phenyl ester,diaminophosphoryl oxy benzene,phenylphosphorodiamidat,phosphoric phenyl ester diamide,phenyl phosphordiamidate,phenyl diamidophosphate #,diaminophenoxyphosphino-1-one PubChem CID: 81954 IUPAC Name: diaminophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(N)N
| PubChem CID | 81954 |
|---|---|
| CAS | 7450-69-3 |
| Molecular Weight (g/mol) | 172.124 |
| MDL Number | MFCD00014767 |
| SMILES | C1=CC=C(C=C1)OP(=O)(N)N |
| Synonym | phenyl phosphorodiamidate,phenylphosphorodiamidate,phenyl diamidophosphate,phosphorodiamidic acid, phenyl ester,diaminophosphoryl oxy benzene,phenylphosphorodiamidat,phosphoric phenyl ester diamide,phenyl phosphordiamidate,phenyl diamidophosphate #,diaminophenoxyphosphino-1-one |
| IUPAC Name | diaminophosphoryloxybenzene |
| InChI Key | AYRRNFHDJUXLEQ-UHFFFAOYSA-N |
| Molecular Formula | C6H9N2O2P |
4-chlorophenylacetone, 98%
CAS: 5586-88-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045214 InChI Key: WEJRYKSUUFKMBC-UHFFFAOYSA-N Synonym: 4-chlorophenylacetone,1-4-chlorophenyl acetone,1-4-chlorophenyl propan-2-one,1-p-chlorophenyl acetone,1-4-chloro-phenyl-propan-2-one,p-chlorophenyl acetone,2-propanone, 1-4-chlorophenyl,p-chlorophenylacetone,4-chlorophenyl acetone PubChem CID: 79699 IUPAC Name: 1-(4-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(Cl)C=C1
| PubChem CID | 79699 |
|---|---|
| CAS | 5586-88-9 |
| Molecular Weight (g/mol) | 168.62 |
| MDL Number | MFCD00045214 |
| SMILES | CC(=O)CC1=CC=C(Cl)C=C1 |
| Synonym | 4-chlorophenylacetone,1-4-chlorophenyl acetone,1-4-chlorophenyl propan-2-one,1-p-chlorophenyl acetone,1-4-chloro-phenyl-propan-2-one,p-chlorophenyl acetone,2-propanone, 1-4-chlorophenyl,p-chlorophenylacetone,4-chlorophenyl acetone |
| IUPAC Name | 1-(4-chlorophenyl)propan-2-one |
| InChI Key | WEJRYKSUUFKMBC-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO |
Methyl 2-aminopyridine-4-carboxylate, 98%
CAS: 6937-03-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039316 InChI Key: SVWWNEYBEFASMP-UHFFFAOYSA-N IUPAC Name: methyl 2-aminopyridine-4-carboxylate
| CAS | 6937-03-7 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD04039316 |
| IUPAC Name | methyl 2-aminopyridine-4-carboxylate |
| InChI Key | SVWWNEYBEFASMP-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
4'-Cyanoacetanilide, 98%
CAS: 35704-19-9 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00001814 InChI Key: UFKRTEWFEYWIHD-UHFFFAOYSA-N Synonym: n-4-cyanophenyl acetamide,4-cyanoacetanilide,4-acetamidobenzonitrile,acetamide, n-4-cyanophenyl,4'-cyanoacetanilide,p-acetamidobenzonitirle,acetanilide, 4'-cyano,p-acetylamino-benzonitrile,p-cyanoacetanilide,p-acetaminobenzonitrile PubChem CID: 37256 IUPAC Name: N-(4-cyanophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)C#N
| PubChem CID | 37256 |
|---|---|
| CAS | 35704-19-9 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD00001814 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C#N |
| Synonym | n-4-cyanophenyl acetamide,4-cyanoacetanilide,4-acetamidobenzonitrile,acetamide, n-4-cyanophenyl,4'-cyanoacetanilide,p-acetamidobenzonitirle,acetanilide, 4'-cyano,p-acetylamino-benzonitrile,p-cyanoacetanilide,p-acetaminobenzonitrile |
| IUPAC Name | N-(4-cyanophenyl)acetamide |
| InChI Key | UFKRTEWFEYWIHD-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O |
4-Amino-2-methoxybenzoic acid, 97%
CAS: 2486-80-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00114479 InChI Key: OLJXRTRRJSMURJ-UHFFFAOYSA-N Synonym: 4-amino-o-anisic acid,4-amino-2-methoxy-benzoic acid,4-amino-2-methoxybenzenecarboxylic acid,2-methoxy-4-amino-benzoic acid,4-amino-2-methoxybenzoicacid,4-azanyl-2-methoxy-benzoic acid,benzoic acid, 4-amino-2-methoxy,2-methoxy-4-aminobenzoic acid,acmc-20aicb,pubchem4934 PubChem CID: 75599 IUPAC Name: 4-amino-2-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)N)C(=O)O
| PubChem CID | 75599 |
|---|---|
| CAS | 2486-80-8 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00114479 |
| SMILES | COC1=C(C=CC(=C1)N)C(=O)O |
| Synonym | 4-amino-o-anisic acid,4-amino-2-methoxy-benzoic acid,4-amino-2-methoxybenzenecarboxylic acid,2-methoxy-4-amino-benzoic acid,4-amino-2-methoxybenzoicacid,4-azanyl-2-methoxy-benzoic acid,benzoic acid, 4-amino-2-methoxy,2-methoxy-4-aminobenzoic acid,acmc-20aicb,pubchem4934 |
| IUPAC Name | 4-amino-2-methoxybenzoic acid |
| InChI Key | OLJXRTRRJSMURJ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
3,5-Dibromo-o-phenylenediamine monohydrochloride, 99%, Thermo Scientific™
CAS: 75568-11-5 Molecular Formula: C6H6Br2N2·HCl Molecular Weight (g/mol): 302.4 MDL Number: MFCD00012967 InChI Key: QOZDVKFQMGARCC-UHFFFAOYSA-N Synonym: 3,5-dibromo-1,2-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine hydrochloride,acmc-20andn,1,2-diamino-3,5-dibromobenzene monohydrochloride,3,5-bis bromanyl benzene-1,2-diamine hydrochloride,3,5-dibromo-1,2-phenylenediamine hydrochloride,1,2-benzenediamine,3,5-dibromo-, hydrochloride 1:1,3,5-dibromo-ortho-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine-hydrogen chloride 1/1,3,5-dibromo-1,2-phenylenediaminemonohydrochloride sensitivereagentforthedeterminationofsebygc-ecd PubChem CID: 2724285 IUPAC Name: 3,5-dibromobenzene-1,2-diamine;hydrochloride SMILES: C1=C(C=C(C(=C1Br)N)N)Br.Cl
| PubChem CID | 2724285 |
|---|---|
| CAS | 75568-11-5 |
| Molecular Weight (g/mol) | 302.4 |
| MDL Number | MFCD00012967 |
| SMILES | C1=C(C=C(C(=C1Br)N)N)Br.Cl |
| Synonym | 3,5-dibromo-1,2-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine hydrochloride,acmc-20andn,1,2-diamino-3,5-dibromobenzene monohydrochloride,3,5-bis bromanyl benzene-1,2-diamine hydrochloride,3,5-dibromo-1,2-phenylenediamine hydrochloride,1,2-benzenediamine,3,5-dibromo-, hydrochloride 1:1,3,5-dibromo-ortho-phenylenediamine monohydrochloride,3,5-dibromobenzene-1,2-diamine-hydrogen chloride 1/1,3,5-dibromo-1,2-phenylenediaminemonohydrochloride sensitivereagentforthedeterminationofsebygc-ecd |
| IUPAC Name | 3,5-dibromobenzene-1,2-diamine;hydrochloride |
| InChI Key | QOZDVKFQMGARCC-UHFFFAOYSA-N |
| Molecular Formula | C6H6Br2N2·HCl |
2-(Triphenylphosphoranylidene)propionaldehyde, 98%
CAS: 24720-64-7 Molecular Formula: C21H19OP Molecular Weight (g/mol): 318.36 MDL Number: MFCD00075596 InChI Key: VHUQEFAWBCDBSC-UHFFFAOYSA-N Synonym: 2-triphenylphosphoranylidene propionaldehyde,2-triphenylphosphoranylidene propanal,propanal, 2-triphenylphosphoranylidene,1-formylethylidenetriphenylphosphorane,2-triphenyl-??-phosphanylidene propanal,acmc-20aol9,2-triphenylylidene propanal,1-formylethylidene triphenyl phosphorane,alpha-formylethylidenetriphenylphosphorane,propanal,2-triphenylphosphoranylidene PubChem CID: 4280987 IUPAC Name: 2-(triphenyl-$l^{5}-phosphanylidene)propanal SMILES: CC(C=O)=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 4280987 |
|---|---|
| CAS | 24720-64-7 |
| Molecular Weight (g/mol) | 318.36 |
| MDL Number | MFCD00075596 |
| SMILES | CC(C=O)=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-triphenylphosphoranylidene propionaldehyde,2-triphenylphosphoranylidene propanal,propanal, 2-triphenylphosphoranylidene,1-formylethylidenetriphenylphosphorane,2-triphenyl-??-phosphanylidene propanal,acmc-20aol9,2-triphenylylidene propanal,1-formylethylidene triphenyl phosphorane,alpha-formylethylidenetriphenylphosphorane,propanal,2-triphenylphosphoranylidene |
| IUPAC Name | 2-(triphenyl-$l^{5}-phosphanylidene)propanal |
| InChI Key | VHUQEFAWBCDBSC-UHFFFAOYSA-N |
| Molecular Formula | C21H19OP |
o-Phenetidine, 99%
CAS: 94-70-2 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00007689 InChI Key: ULHFFAFDSSHFDA-UHFFFAOYSA-N Synonym: o-phenetidine,2-aminophenetole,benzenamine, 2-ethoxy,o-ethoxyaniline,2-ethoxybenzenamine,o-aminophenetole,2-ethoxyphenylamine,ethoxyaniline,2-phenetidine,benzenamine, ar-ethoxy PubChem CID: 7203 IUPAC Name: 2-ethoxyaniline SMILES: CCOC1=CC=CC=C1N
| PubChem CID | 7203 |
|---|---|
| CAS | 94-70-2 |
| Molecular Weight (g/mol) | 137.18 |
| MDL Number | MFCD00007689 |
| SMILES | CCOC1=CC=CC=C1N |
| Synonym | o-phenetidine,2-aminophenetole,benzenamine, 2-ethoxy,o-ethoxyaniline,2-ethoxybenzenamine,o-aminophenetole,2-ethoxyphenylamine,ethoxyaniline,2-phenetidine,benzenamine, ar-ethoxy |
| IUPAC Name | 2-ethoxyaniline |
| InChI Key | ULHFFAFDSSHFDA-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
3-Vinylbenzoic acid, 96%
CAS: 28447-20-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00157038 InChI Key: VWXZFDWVWMQRQR-UHFFFAOYSA-N PubChem CID: 4438231 IUPAC Name: 3-ethenylbenzoic acid SMILES: C=CC1=CC(=CC=C1)C(=O)O
| PubChem CID | 4438231 |
|---|---|
| CAS | 28447-20-3 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00157038 |
| SMILES | C=CC1=CC(=CC=C1)C(=O)O |
| IUPAC Name | 3-ethenylbenzoic acid |
| InChI Key | VWXZFDWVWMQRQR-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
N-Boc-4-bromoaniline, 97%
CAS: 131818-17-2 Molecular Formula: C11H14BrNO2 Molecular Weight (g/mol): 272.14 MDL Number: MFCD01006612 InChI Key: VLGPDTPSKUUHKR-UHFFFAOYSA-N Synonym: tert-butyl 4-bromophenyl carbamate,tert-butyl n-4-bromophenyl carbamate,tert-butyl 4-bromophenylcarbamate,n-boc-4-bromoaniline,n-tert-butoxycarbonyl-4-bromoaniline,metronidazolebenzoate,n-boc 4-bromoaniline,4-bromo-n-boc aniline,acmc-1c4z5,t-butyl 4-bromophenylcarbamate PubChem CID: 2773608 IUPAC Name: tert-butyl N-(4-bromophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(Br)C=C1
| PubChem CID | 2773608 |
|---|---|
| CAS | 131818-17-2 |
| Molecular Weight (g/mol) | 272.14 |
| MDL Number | MFCD01006612 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(Br)C=C1 |
| Synonym | tert-butyl 4-bromophenyl carbamate,tert-butyl n-4-bromophenyl carbamate,tert-butyl 4-bromophenylcarbamate,n-boc-4-bromoaniline,n-tert-butoxycarbonyl-4-bromoaniline,metronidazolebenzoate,n-boc 4-bromoaniline,4-bromo-n-boc aniline,acmc-1c4z5,t-butyl 4-bromophenylcarbamate |
| IUPAC Name | tert-butyl N-(4-bromophenyl)carbamate |
| InChI Key | VLGPDTPSKUUHKR-UHFFFAOYSA-N |
| Molecular Formula | C11H14BrNO2 |
Phenoxybenzamine hydrochloride
CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.288 MDL Number: MFCD00055152 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYSA-N Synonym: phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine PubChem CID: 5284441 ChEBI: CHEBI:8078 IUPAC Name: N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride SMILES: CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl
| PubChem CID | 5284441 |
|---|---|
| CAS | 63-92-3 |
| Molecular Weight (g/mol) | 340.288 |
| ChEBI | CHEBI:8078 |
| MDL Number | MFCD00055152 |
| SMILES | CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl |
| Synonym | phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine |
| IUPAC Name | N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride |
| InChI Key | VBCPVIWPDJVHAN-UHFFFAOYSA-N |
| Molecular Formula | C18H23Cl2NO |