Benzene and substituted derivatives
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4-Methyl-2-nitroaniline, 99%
CAS: 89-62-3 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007907 InChI Key: DLURHXYXQYMPLT-UHFFFAOYSA-N Synonym: 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt PubChem CID: 6978 ChEBI: CHEBI:66920 IUPAC Name: 4-methyl-2-nitroaniline SMILES: CC1=CC=C(N)C(=C1)[N+]([O-])=O
| PubChem CID | 6978 |
|---|---|
| CAS | 89-62-3 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:66920 |
| MDL Number | MFCD00007907 |
| SMILES | CC1=CC=C(N)C(=C1)[N+]([O-])=O |
| Synonym | 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt |
| IUPAC Name | 4-methyl-2-nitroaniline |
| InChI Key | DLURHXYXQYMPLT-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
2-Chlorophenylhydrazine hydrochloride, 97%
CAS: 41052-75-9 Molecular Formula: C6H8Cl2N2 Molecular Weight (g/mol): 179.04 MDL Number: MFCD00012928 InChI Key: ADODRSVGNHNKAT-UHFFFAOYSA-N Synonym: 2-chlorophenylhydrazine hydrochloride,2-chlorophenyl hydrazine hydrochloride,o-chlorophenylhydrazine hydrochloride,1-2-chlorophenyl hydrazine hydrochloride,o-chlorophenylhydrazine hcl,2-chloro phenyl hydrazine hydrochloride,2-chlorophenylhydrazine, chloride,hydrazine, 2-chlorophenyl-, monohydrochloride,2-chlorophenylhydrazinehydrochloride PubChem CID: 443287 ChEBI: CHEBI:1046 IUPAC Name: (2-chlorophenyl)hydrazine;hydrochloride SMILES: [H+].[Cl-].NNC1=CC=CC=C1Cl
| PubChem CID | 443287 |
|---|---|
| CAS | 41052-75-9 |
| Molecular Weight (g/mol) | 179.04 |
| ChEBI | CHEBI:1046 |
| MDL Number | MFCD00012928 |
| SMILES | [H+].[Cl-].NNC1=CC=CC=C1Cl |
| Synonym | 2-chlorophenylhydrazine hydrochloride,2-chlorophenyl hydrazine hydrochloride,o-chlorophenylhydrazine hydrochloride,1-2-chlorophenyl hydrazine hydrochloride,o-chlorophenylhydrazine hcl,2-chloro phenyl hydrazine hydrochloride,2-chlorophenylhydrazine, chloride,hydrazine, 2-chlorophenyl-, monohydrochloride,2-chlorophenylhydrazinehydrochloride |
| IUPAC Name | (2-chlorophenyl)hydrazine;hydrochloride |
| InChI Key | ADODRSVGNHNKAT-UHFFFAOYSA-N |
| Molecular Formula | C6H8Cl2N2 |
2,4,6-Triisopropylbenzenesulfonyl chloride, 97%
CAS: 6553-96-4 Molecular Formula: C15H23ClO2S Molecular Weight (g/mol): 302.85 MDL Number: MFCD00007433 InChI Key: JAPYIBBSTJFDAK-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzenesulfonyl chloride,2,4,6-triisopropylbenzene-1-sulfonyl chloride,trisyl chloride,2,4,6-triisopropylbenzenesulphonyl chloride,benzenesulfonyl chloride, 2,4,6-tris 1-methylethyl,2,4,6-triisopropylbenzenesulfonylchloride,2,4,6-triisopropyl-benzenesulfonyl chloride,tpscl 2,4,6-triisopropyl benzenesulfonyl chloride,2,4,6-triisopropylphenylsulfonyl chloride,2,4,6-triisopropyl benzenesulfonyl chloride PubChem CID: 81042 IUPAC Name: 2,4,6-tri(propan-2-yl)benzenesulfonyl chloride SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C
| PubChem CID | 81042 |
|---|---|
| CAS | 6553-96-4 |
| Molecular Weight (g/mol) | 302.85 |
| MDL Number | MFCD00007433 |
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C |
| Synonym | 2,4,6-triisopropylbenzenesulfonyl chloride,2,4,6-triisopropylbenzene-1-sulfonyl chloride,trisyl chloride,2,4,6-triisopropylbenzenesulphonyl chloride,benzenesulfonyl chloride, 2,4,6-tris 1-methylethyl,2,4,6-triisopropylbenzenesulfonylchloride,2,4,6-triisopropyl-benzenesulfonyl chloride,tpscl 2,4,6-triisopropyl benzenesulfonyl chloride,2,4,6-triisopropylphenylsulfonyl chloride,2,4,6-triisopropyl benzenesulfonyl chloride |
| IUPAC Name | 2,4,6-tri(propan-2-yl)benzenesulfonyl chloride |
| InChI Key | JAPYIBBSTJFDAK-UHFFFAOYSA-N |
| Molecular Formula | C15H23ClO2S |
3-Methoxyphenethyl alcohol, 97%
CAS: 5020-41-7 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002893 InChI Key: UPPGEJSCUZMCMW-UHFFFAOYSA-N Synonym: 2-3-methoxyphenyl ethanol,3-methoxyphenethyl alcohol,benzeneethanol, 3-methoxy,2-3-methoxyphenyl ethan-1-ol,phenethyl alcohol, m-methoxy,3-methoxybenzeneethanol,m-methoxyphenethyl alcohol,1-2-hydroxyethyl-3-methoxybenzene,acmc-20abd2,3-methoxyphenethylalcohol PubChem CID: 78724 IUPAC Name: 2-(3-methoxyphenyl)ethanol SMILES: COC1=CC=CC(=C1)CCO
| PubChem CID | 78724 |
|---|---|
| CAS | 5020-41-7 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00002893 |
| SMILES | COC1=CC=CC(=C1)CCO |
| Synonym | 2-3-methoxyphenyl ethanol,3-methoxyphenethyl alcohol,benzeneethanol, 3-methoxy,2-3-methoxyphenyl ethan-1-ol,phenethyl alcohol, m-methoxy,3-methoxybenzeneethanol,m-methoxyphenethyl alcohol,1-2-hydroxyethyl-3-methoxybenzene,acmc-20abd2,3-methoxyphenethylalcohol |
| IUPAC Name | 2-(3-methoxyphenyl)ethanol |
| InChI Key | UPPGEJSCUZMCMW-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
1-(N-BOC-aminomethyl)-4-(aminomethyl)benzene, 90%
CAS: 108468-00-4 Molecular Formula: C13H20N2O2 Molecular Weight (g/mol): 236.31 MDL Number: MFCD02683058 InChI Key: NUANLVJLUYWSER-UHFFFAOYSA-N Synonym: 1-n-boc-aminomethyl-4-aminomethyl benzene,tert-butyl 4-aminomethyl benzylcarbamate,tert-butyl n-4-aminomethyl benzyl carbamate,4-aminomethyl-benzyl-carbamic acid tert-butyl ester,tert-butyl n-4-aminomethyl phenyl methyl carbamate,n-4-aminomethyl phenyl methyl tert-butoxy carboxamide,n-boc-p-xylylenediamine,4-tert-butoxycarbonylaminomethyl benzylamine PubChem CID: 3354775 IUPAC Name: tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CN
| PubChem CID | 3354775 |
|---|---|
| CAS | 108468-00-4 |
| Molecular Weight (g/mol) | 236.31 |
| MDL Number | MFCD02683058 |
| SMILES | CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CN |
| Synonym | 1-n-boc-aminomethyl-4-aminomethyl benzene,tert-butyl 4-aminomethyl benzylcarbamate,tert-butyl n-4-aminomethyl benzyl carbamate,4-aminomethyl-benzyl-carbamic acid tert-butyl ester,tert-butyl n-4-aminomethyl phenyl methyl carbamate,n-4-aminomethyl phenyl methyl tert-butoxy carboxamide,n-boc-p-xylylenediamine,4-tert-butoxycarbonylaminomethyl benzylamine |
| IUPAC Name | tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate |
| InChI Key | NUANLVJLUYWSER-UHFFFAOYSA-N |
| Molecular Formula | C13H20N2O2 |
2,3,4,5,6-Pentafluorobenzyl alcohol, 98%
CAS: 440-60-8 Molecular Formula: C7H3F5O Molecular Weight (g/mol): 198.092 MDL Number: MFCD00004602 InChI Key: PGJYYCIOYBZTPU-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzyl alcohol,pentafluorobenzyl alcohol,perfluorophenyl methanol,pentafluorophenyl methanol,2,3,4,5,6-pentafluorophenyl methanol,2,3,4,5,6-pentafluorobenzenemethanol,hydroxymethyl pentafluorobenzene,benzenemethanol, 2,3,4,5,6-pentafluoro,pentafluorobenzylalcohol,2,3,4,5,6-pentafluorobenzylalcohol PubChem CID: 9923 ChEBI: CHEBI:44903 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)methanol SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)O
| PubChem CID | 9923 |
|---|---|
| CAS | 440-60-8 |
| Molecular Weight (g/mol) | 198.092 |
| ChEBI | CHEBI:44903 |
| MDL Number | MFCD00004602 |
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)O |
| Synonym | 2,3,4,5,6-pentafluorobenzyl alcohol,pentafluorobenzyl alcohol,perfluorophenyl methanol,pentafluorophenyl methanol,2,3,4,5,6-pentafluorophenyl methanol,2,3,4,5,6-pentafluorobenzenemethanol,hydroxymethyl pentafluorobenzene,benzenemethanol, 2,3,4,5,6-pentafluoro,pentafluorobenzylalcohol,2,3,4,5,6-pentafluorobenzylalcohol |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)methanol |
| InChI Key | PGJYYCIOYBZTPU-UHFFFAOYSA-N |
| Molecular Formula | C7H3F5O |
Propylparaben, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(O)C=C1
| CAS | 94-13-3 |
|---|---|
| Molecular Weight (g/mol) | 180.20 |
| SMILES | CCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
1-Phenyl-2-propanol, 98%
CAS: 14898-87-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004540 InChI Key: WYTRYIUQUDTGSX-UHFFFAOYNA-N Synonym: 1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol PubChem CID: 94185 IUPAC Name: 1-phenylpropan-2-ol SMILES: CC(O)CC1=CC=CC=C1
| PubChem CID | 94185 |
|---|---|
| CAS | 14898-87-4 |
| Molecular Weight (g/mol) | 136.19 |
| MDL Number | MFCD00004540 |
| SMILES | CC(O)CC1=CC=CC=C1 |
| Synonym | 1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol |
| IUPAC Name | 1-phenylpropan-2-ol |
| InChI Key | WYTRYIUQUDTGSX-UHFFFAOYNA-N |
| Molecular Formula | C9H12O |
2-Nitrophenylhydrazine, 97%, moistened with ca 30% water
CAS: 3034-19-3 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007577 InChI Key: FRBUNLLUASHNDJ-UHFFFAOYSA-N Synonym: 2-nitrophenyl hydrazine,hydrazine, nitrophenyl,hydrazine, o-nitrophenyl,o-nitrophenylhydrazine,hydrazine, 2-nitrophenyl,2-nitrophenylhrdrazine,2-nitrophenyl diazane,pubchem12859,acmc-1agti,o-nitrophenyl hydrazine PubChem CID: 3314739 IUPAC Name: (2-nitrophenyl)hydrazine SMILES: C1=CC=C(C(=C1)NN)[N+](=O)[O-]
| PubChem CID | 3314739 |
|---|---|
| CAS | 3034-19-3 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD00007577 |
| SMILES | C1=CC=C(C(=C1)NN)[N+](=O)[O-] |
| Synonym | 2-nitrophenyl hydrazine,hydrazine, nitrophenyl,hydrazine, o-nitrophenyl,o-nitrophenylhydrazine,hydrazine, 2-nitrophenyl,2-nitrophenylhrdrazine,2-nitrophenyl diazane,pubchem12859,acmc-1agti,o-nitrophenyl hydrazine |
| IUPAC Name | (2-nitrophenyl)hydrazine |
| InChI Key | FRBUNLLUASHNDJ-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O2 |
5-Methylsalicylic acid, 98%
CAS: 89-56-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002461 InChI Key: DLGBEGBHXSAQOC-UHFFFAOYSA-N Synonym: 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid PubChem CID: 6973 IUPAC Name: 2-hydroxy-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)O)C(=O)O
| PubChem CID | 6973 |
|---|---|
| CAS | 89-56-5 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00002461 |
| SMILES | CC1=CC(=C(C=C1)O)C(=O)O |
| Synonym | 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid |
| IUPAC Name | 2-hydroxy-5-methylbenzoic acid |
| InChI Key | DLGBEGBHXSAQOC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
3-Methoxybenzyl alcohol, 98%
CAS: 6971-51-3 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004637 InChI Key: IIGNZLVHOZEOPV-UHFFFAOYSA-N Synonym: 3-methoxybenzyl alcohol,3-methoxyphenyl methanol,m-methoxybenzyl alcohol,3-methoxybenzylalcohol,m-anisyl alcohol,3-anise alcohol,3-anisyl alcohol,benzenemethanol, 3-methoxy,unii-i1xc3698n5,3-methoxyphenyl methan-1-ol PubChem CID: 81437 ChEBI: CHEBI:1580 IUPAC Name: (3-methoxyphenyl)methanol SMILES: COC1=CC=CC(=C1)CO
| PubChem CID | 81437 |
|---|---|
| CAS | 6971-51-3 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:1580 |
| MDL Number | MFCD00004637 |
| SMILES | COC1=CC=CC(=C1)CO |
| Synonym | 3-methoxybenzyl alcohol,3-methoxyphenyl methanol,m-methoxybenzyl alcohol,3-methoxybenzylalcohol,m-anisyl alcohol,3-anise alcohol,3-anisyl alcohol,benzenemethanol, 3-methoxy,unii-i1xc3698n5,3-methoxyphenyl methan-1-ol |
| IUPAC Name | (3-methoxyphenyl)methanol |
| InChI Key | IIGNZLVHOZEOPV-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
4,4'-Dimethoxystilbene, 99%
CAS: 4705-34-4 Molecular Formula: C16H16O2 Molecular Weight (g/mol): 240.3 MDL Number: MFCD00008414 InChI Key: CAWFCZIEFIQKRV-ONEGZZNKSA-N Synonym: bianisal,4,4'-dimethoxystilbene,bianisylidene,photoanethole,p,p'-dimethoxystilbene,4,4'-dimethoxy-trans-stilbene,e-1,2-bis 4-methoxyphenyl ethene,1-methoxy-4-e-2-4-methoxyphenyl ethenyl benzene,4,4/'-dimethoxystilbene,1,1'-e-ethene-1,2-diylbis 4-methoxybenzene PubChem CID: 641296 IUPAC Name: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene SMILES: COC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OC
| PubChem CID | 641296 |
|---|---|
| CAS | 4705-34-4 |
| Molecular Weight (g/mol) | 240.3 |
| MDL Number | MFCD00008414 |
| SMILES | COC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OC |
| Synonym | bianisal,4,4'-dimethoxystilbene,bianisylidene,photoanethole,p,p'-dimethoxystilbene,4,4'-dimethoxy-trans-stilbene,e-1,2-bis 4-methoxyphenyl ethene,1-methoxy-4-e-2-4-methoxyphenyl ethenyl benzene,4,4/'-dimethoxystilbene,1,1'-e-ethene-1,2-diylbis 4-methoxybenzene |
| IUPAC Name | 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene |
| InChI Key | CAWFCZIEFIQKRV-ONEGZZNKSA-N |
| Molecular Formula | C16H16O2 |
4-Amino-2-chlorobenzoic acid, 97%
CAS: 2457-76-3 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007772 InChI Key: MBDUKNCPOPMRJQ-UHFFFAOYSA-N Synonym: 2-chloro-4-aminobenzoic acid,benzoic acid, 4-amino-2-chloro,o-chloro-p-aminobenzoic acid,2-chloro-p-aminobenzoic acid,usaf nb-1,4-amino-2-chloro-benzoic acid,4-amino-2-chlorobenzoicacid,unii-y3s6924ia6,wln: zr cg dvq,pubchem3109 PubChem CID: 17154 ChEBI: CHEBI:59472 IUPAC Name: 4-amino-2-chlorobenzoic acid SMILES: C1=CC(=C(C=C1N)Cl)C(=O)O
| PubChem CID | 17154 |
|---|---|
| CAS | 2457-76-3 |
| Molecular Weight (g/mol) | 171.58 |
| ChEBI | CHEBI:59472 |
| MDL Number | MFCD00007772 |
| SMILES | C1=CC(=C(C=C1N)Cl)C(=O)O |
| Synonym | 2-chloro-4-aminobenzoic acid,benzoic acid, 4-amino-2-chloro,o-chloro-p-aminobenzoic acid,2-chloro-p-aminobenzoic acid,usaf nb-1,4-amino-2-chloro-benzoic acid,4-amino-2-chlorobenzoicacid,unii-y3s6924ia6,wln: zr cg dvq,pubchem3109 |
| IUPAC Name | 4-amino-2-chlorobenzoic acid |
| InChI Key | MBDUKNCPOPMRJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
3,3',5,5'-Tetramethylbenzidine dihydrochloride hydrate, 98+%
CAS: 207738-08-7 Molecular Formula: C16H22Cl2N2 Molecular Weight (g/mol): 313.27 MDL Number: MFCD00150104 InChI Key: NYNRGZULARUZCC-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine dihydrochloride dihydrate,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride dihydrate,3,3',5,5'-tetramethylbenzidine dihydrochloride hydrate,pubchem9044,tetramethylbenzidine dihydrate dihydrochloride PubChem CID: 19836601 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;dihydrate;dihydrochloride SMILES: Cl.Cl.CC1=CC(=CC(C)=C1N)C1=CC(C)=C(N)C(C)=C1
| PubChem CID | 19836601 |
|---|---|
| CAS | 207738-08-7 |
| Molecular Weight (g/mol) | 313.27 |
| MDL Number | MFCD00150104 |
| SMILES | Cl.Cl.CC1=CC(=CC(C)=C1N)C1=CC(C)=C(N)C(C)=C1 |
| Synonym | 3,3',5,5'-tetramethylbenzidine dihydrochloride dihydrate,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride dihydrate,3,3',5,5'-tetramethylbenzidine dihydrochloride hydrate,pubchem9044,tetramethylbenzidine dihydrate dihydrochloride |
| IUPAC Name | 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;dihydrate;dihydrochloride |
| InChI Key | NYNRGZULARUZCC-UHFFFAOYSA-N |
| Molecular Formula | C16H22Cl2N2 |