Benzene and substituted derivatives
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3-Methoxybenzyl bromide, 98+%
CAS: 874-98-6 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD00216590 InChI Key: ZKSOJQDNSNJIQW-UHFFFAOYSA-N Synonym: 3-methoxybenzyl bromide,1-bromomethyl-3-methoxybenzene,3-methoxybenzylbromide,3-methoxybenzylbromid,m-methoxybenzyl bromide,1-bromomethyl-3-methoxy-benzene,3-bromomethyl-1-methoxybenzene,benzene, 1-bromomethyl-3-methoxy,3-methoxy benzylbromide PubChem CID: 4067207 IUPAC Name: 1-(bromomethyl)-3-methoxybenzene SMILES: COC1=CC=CC(=C1)CBr
| PubChem CID | 4067207 |
|---|---|
| CAS | 874-98-6 |
| Molecular Weight (g/mol) | 201.06 |
| MDL Number | MFCD00216590 |
| SMILES | COC1=CC=CC(=C1)CBr |
| Synonym | 3-methoxybenzyl bromide,1-bromomethyl-3-methoxybenzene,3-methoxybenzylbromide,3-methoxybenzylbromid,m-methoxybenzyl bromide,1-bromomethyl-3-methoxy-benzene,3-bromomethyl-1-methoxybenzene,benzene, 1-bromomethyl-3-methoxy,3-methoxy benzylbromide |
| IUPAC Name | 1-(bromomethyl)-3-methoxybenzene |
| InChI Key | ZKSOJQDNSNJIQW-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
Chlorotris(triphenylphosphine)cobalt(I), 97%
CAS: 26305-75-9 Molecular Formula: C54H45ClCoP3 Molecular Weight (g/mol): 881.26 MDL Number: MFCD00015864 InChI Key: RHNBOEDTKLKUEB-UHFFFAOYSA-M Synonym: chlorotris triphenylphosphine cobalt i,cobalt i tris triphenylphosphine chloride PubChem CID: 71431130 IUPAC Name: cobalt;triphenylphosphane;chloride SMILES: [Cl-].[Co+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 71431130 |
|---|---|
| CAS | 26305-75-9 |
| Molecular Weight (g/mol) | 881.26 |
| MDL Number | MFCD00015864 |
| SMILES | [Cl-].[Co+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | chlorotris triphenylphosphine cobalt i,cobalt i tris triphenylphosphine chloride |
| IUPAC Name | cobalt;triphenylphosphane;chloride |
| InChI Key | RHNBOEDTKLKUEB-UHFFFAOYSA-M |
| Molecular Formula | C54H45ClCoP3 |
p-Toluenesulfonic Acid, Monohydrate , MP Biomedical
CAS: 104-15-4 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 InChI Key: JOXIMZWYDAKGHI-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid,p-toluenesulphonic acid,4-toluenesulfonic acid,tosic acid,p-tolylsulfonic acid,toluene-4-sulfonic acid,toluenesulfonic acid,benzenesulfonic acid, 4-methyl,p-toluenesulfonate,eltesol PubChem CID: 6101 ChEBI: CHEBI:27849
| PubChem CID | 6101 |
|---|---|
| CAS | 104-15-4 |
| Molecular Weight (g/mol) | 172.20 |
| ChEBI | CHEBI:27849 |
| Synonym | p-toluenesulfonic acid,p-toluenesulphonic acid,4-toluenesulfonic acid,tosic acid,p-tolylsulfonic acid,toluene-4-sulfonic acid,toluenesulfonic acid,benzenesulfonic acid, 4-methyl,p-toluenesulfonate,eltesol |
| InChI Key | JOXIMZWYDAKGHI-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3S |
Benzopinacol, 98%
CAS: 464-72-2 Molecular Formula: C26H22O2 Molecular Weight (g/mol): 366.46 MDL Number: MFCD00004448 InChI Key: MFEWNFVBWPABCX-UHFFFAOYSA-N Synonym: benzopinacol,benzopinacole,benzopinacone,benzpinacol,benzpinacone,tetraphenylethylene glycol,tetraphenyl-1,2-ethanediol,benzophenone pinacol,1,1,2,2-tetraphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2,2-tetraphenyl PubChem CID: 94766 IUPAC Name: 1,1,2,2-tetraphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
| PubChem CID | 94766 |
|---|---|
| CAS | 464-72-2 |
| Molecular Weight (g/mol) | 366.46 |
| MDL Number | MFCD00004448 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O |
| Synonym | benzopinacol,benzopinacole,benzopinacone,benzpinacol,benzpinacone,tetraphenylethylene glycol,tetraphenyl-1,2-ethanediol,benzophenone pinacol,1,1,2,2-tetraphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2,2-tetraphenyl |
| IUPAC Name | 1,1,2,2-tetraphenylethane-1,2-diol |
| InChI Key | MFEWNFVBWPABCX-UHFFFAOYSA-N |
| Molecular Formula | C26H22O2 |
Nimesulide
CAS: 51803-78-2 Molecular Formula: C13H12N2O5S Molecular Weight (g/mol): 308.308 MDL Number: MFCD00079470 InChI Key: HYWYRSMBCFDLJT-UHFFFAOYSA-N Synonym: nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish PubChem CID: 4495 ChEBI: CHEBI:44445 IUPAC Name: N-(4-nitro-2-phenoxyphenyl)methanesulfonamide SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
| PubChem CID | 4495 |
|---|---|
| CAS | 51803-78-2 |
| Molecular Weight (g/mol) | 308.308 |
| ChEBI | CHEBI:44445 |
| MDL Number | MFCD00079470 |
| SMILES | CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 |
| Synonym | nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish |
| IUPAC Name | N-(4-nitro-2-phenoxyphenyl)methanesulfonamide |
| InChI Key | HYWYRSMBCFDLJT-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O5S |
4-(Methylamino)benzoic acid, 97%
CAS: 10541-83-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00002535 InChI Key: ZVIDMSBTYRSMAR-UHFFFAOYSA-N Synonym: 4-methylamino benzoic acid,benzoic acid, 4-methylamino,p-methylaminobenzoic acid,n-methyl-4-aminobenzoic acid,4-n-methylamino benzoic acid,n-methyl-4-aminobenzoate,benzoic acid, p-methylamino,4-methylamino-benzoic acid,p-methylamino benzoic acid,p-n-methylamino benzoic acid PubChem CID: 66345 ChEBI: CHEBI:7308 IUPAC Name: 4-(methylamino)benzoic acid SMILES: CNC1=CC=C(C=C1)C(=O)O
| PubChem CID | 66345 |
|---|---|
| CAS | 10541-83-0 |
| Molecular Weight (g/mol) | 151.165 |
| ChEBI | CHEBI:7308 |
| MDL Number | MFCD00002535 |
| SMILES | CNC1=CC=C(C=C1)C(=O)O |
| Synonym | 4-methylamino benzoic acid,benzoic acid, 4-methylamino,p-methylaminobenzoic acid,n-methyl-4-aminobenzoic acid,4-n-methylamino benzoic acid,n-methyl-4-aminobenzoate,benzoic acid, p-methylamino,4-methylamino-benzoic acid,p-methylamino benzoic acid,p-n-methylamino benzoic acid |
| IUPAC Name | 4-(methylamino)benzoic acid |
| InChI Key | ZVIDMSBTYRSMAR-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
3,5-Diaminobenzoic acid, 96%, may contain up to 3% moisture
CAS: 535-87-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O
| PubChem CID | 12062 |
|---|---|
| CAS | 535-87-5 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00007807 |
| SMILES | C1=C(C=C(C=C1N)N)C(=O)O |
| Synonym | benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid |
| IUPAC Name | 3,5-diaminobenzoic acid |
| InChI Key | UENRXLSRMCSUSN-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
4-Hydroxy-4'-nitrostilbene, 98%
CAS: 19221-08-0 Molecular Formula: C14H11NO3 Molecular Weight (g/mol): 241.246 MDL Number: MFCD00017044 InChI Key: OETQWIHJPIESQB-OWOJBTEDSA-N Synonym: 4-hydroxy-4'-nitrostilbene,4-4-nitrostyryl phenol,4-e-2-4-nitrophenyl ethenyl phenol,4-hydroxy-4/'-nitrostilbene,4-1e-2-4-nitrophenyl vinyl phenol,4'-nitrostilben-4-ol,cambridge id 5309411,e-4'-nitrostilbene-4-ol,e-4-4-nitrostyryl phenol PubChem CID: 759250 IUPAC Name: 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)[N+](=O)[O-]
| PubChem CID | 759250 |
|---|---|
| CAS | 19221-08-0 |
| Molecular Weight (g/mol) | 241.246 |
| MDL Number | MFCD00017044 |
| SMILES | C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)[N+](=O)[O-] |
| Synonym | 4-hydroxy-4'-nitrostilbene,4-4-nitrostyryl phenol,4-e-2-4-nitrophenyl ethenyl phenol,4-hydroxy-4/'-nitrostilbene,4-1e-2-4-nitrophenyl vinyl phenol,4'-nitrostilben-4-ol,cambridge id 5309411,e-4'-nitrostilbene-4-ol,e-4-4-nitrostyryl phenol |
| IUPAC Name | 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol |
| InChI Key | OETQWIHJPIESQB-OWOJBTEDSA-N |
| Molecular Formula | C14H11NO3 |
Phenylacetaldehyde, 95%
CAS: 122-78-1 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006993 InChI Key: DTUQWGWMVIHBKE-UHFFFAOYSA-N Synonym: phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde PubChem CID: 998 ChEBI: CHEBI:16424 IUPAC Name: 2-phenylacetaldehyde SMILES: O=CCC1=CC=CC=C1
| PubChem CID | 998 |
|---|---|
| CAS | 122-78-1 |
| Molecular Weight (g/mol) | 120.15 |
| ChEBI | CHEBI:16424 |
| MDL Number | MFCD00006993 |
| SMILES | O=CCC1=CC=CC=C1 |
| Synonym | phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde |
| IUPAC Name | 2-phenylacetaldehyde |
| InChI Key | DTUQWGWMVIHBKE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
alpha,alpha'-Dibromo-m-xylene, 97%
CAS: 626-15-3 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.95 InChI Key: OXHOPZLBSSTTBU-UHFFFAOYSA-N Synonym: 1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene PubChem CID: 69373 IUPAC Name: 1,3-bis(bromomethyl)benzene SMILES: C1=CC(=CC(=C1)CBr)CBr
| PubChem CID | 69373 |
|---|---|
| CAS | 626-15-3 |
| Molecular Weight (g/mol) | 263.95 |
| SMILES | C1=CC(=CC(=C1)CBr)CBr |
| Synonym | 1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene |
| IUPAC Name | 1,3-bis(bromomethyl)benzene |
| InChI Key | OXHOPZLBSSTTBU-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2 |
4-(Methylthio)benzyl alcohol, 98%
CAS: 3446-90-0 Molecular Formula: C8H10OS Molecular Weight (g/mol): 154.227 MDL Number: MFCD00009706 InChI Key: MTXQKSQYMREAGJ-UHFFFAOYSA-N Synonym: 4-methylthio benzyl alcohol,4-methylthio phenyl methanol,p-methylthiobenzyl alcohol,4-methylsulfanyl phenyl methanol,4-methylthiobenzyl alcohol,4-methylthio benzylalcohol,p-methylthio benzyl alcohol,4-methylsulfanylphenyl methanol,4-hydroxymethyl thioanisole PubChem CID: 592968 IUPAC Name: (4-methylsulfanylphenyl)methanol SMILES: CSC1=CC=C(C=C1)CO
| PubChem CID | 592968 |
|---|---|
| CAS | 3446-90-0 |
| Molecular Weight (g/mol) | 154.227 |
| MDL Number | MFCD00009706 |
| SMILES | CSC1=CC=C(C=C1)CO |
| Synonym | 4-methylthio benzyl alcohol,4-methylthio phenyl methanol,p-methylthiobenzyl alcohol,4-methylsulfanyl phenyl methanol,4-methylthiobenzyl alcohol,4-methylthio benzylalcohol,p-methylthio benzyl alcohol,4-methylsulfanylphenyl methanol,4-hydroxymethyl thioanisole |
| IUPAC Name | (4-methylsulfanylphenyl)methanol |
| InChI Key | MTXQKSQYMREAGJ-UHFFFAOYSA-N |
| Molecular Formula | C8H10OS |
2-Amino-5-(trifluoromethyl)benzoic acid, 95%
CAS: 83265-53-6 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.136 MDL Number: MFCD01569537 InChI Key: GLCQUPLYYXSPQB-UHFFFAOYSA-N Synonym: 2-amino-5-trifluoromethyl benzoic acid,2-amino-5-trifluoromethyl-benzoic acid,5-trifluoromethylanthranilic acid,5-trifluoromethyl anthranilic acid,benzoic acid, 2-amino-5-trifluoromethyl,2-amino-5-trifluoromethyl-benzoicacid,pubchem12904,4-amino-3-carboxybenzotrifluoride,2-carboxy-4-trifluoromethyl aniline,2-amino-5-trifluoromethyl benzoicacid PubChem CID: 10465535 IUPAC Name: 2-amino-5-(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)O)N
| PubChem CID | 10465535 |
|---|---|
| CAS | 83265-53-6 |
| Molecular Weight (g/mol) | 205.136 |
| MDL Number | MFCD01569537 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C(=O)O)N |
| Synonym | 2-amino-5-trifluoromethyl benzoic acid,2-amino-5-trifluoromethyl-benzoic acid,5-trifluoromethylanthranilic acid,5-trifluoromethyl anthranilic acid,benzoic acid, 2-amino-5-trifluoromethyl,2-amino-5-trifluoromethyl-benzoicacid,pubchem12904,4-amino-3-carboxybenzotrifluoride,2-carboxy-4-trifluoromethyl aniline,2-amino-5-trifluoromethyl benzoicacid |
| IUPAC Name | 2-amino-5-(trifluoromethyl)benzoic acid |
| InChI Key | GLCQUPLYYXSPQB-UHFFFAOYSA-N |
| Molecular Formula | C8H6F3NO2 |
3-Nitrobenzaldehyde, 99%
CAS: 99-61-6 Molecular Formula: C7H5NO3 MDL Number: MFCD00007249 InChI Key: ZETIVVHRRQLWFW-UHFFFAOYSA-N Synonym: m-nitrobenzaldehyde,benzaldehyde, 3-nitro,3-formylnitrobenzene,meta-nitrobenzaldehyde,benzaldehyde, m-nitro,5-nitrobenzaldehyde,unii-g4o92ko71z,3-nitro-benzaldehyde,ccris 1784,m-nitro-benzaldehyde PubChem CID: 7449 IUPAC Name: 3-nitrobenzaldehyde
| PubChem CID | 7449 |
|---|---|
| CAS | 99-61-6 |
| MDL Number | MFCD00007249 |
| Synonym | m-nitrobenzaldehyde,benzaldehyde, 3-nitro,3-formylnitrobenzene,meta-nitrobenzaldehyde,benzaldehyde, m-nitro,5-nitrobenzaldehyde,unii-g4o92ko71z,3-nitro-benzaldehyde,ccris 1784,m-nitro-benzaldehyde |
| IUPAC Name | 3-nitrobenzaldehyde |
| InChI Key | ZETIVVHRRQLWFW-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO3 |
| CAS | 6783-05-7 |
|---|---|
| MDL Number | MFCD00963621 |
2-tert-Butyl-4-methylphenol, 99%
CAS: 2409-55-4 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00002381 InChI Key: IKEHOXWJQXIQAG-UHFFFAOYSA-N Synonym: 2-tert-butyl-4-methylphenol,2-tert-butyl-p-cresol,2-t-butyl-p-cresol,p-cresol, 2-tert-butyl,o-tert-butyl-p-cresol,2-t-butyl-4-methylphenol,4-methyl-2-tert-butylphenol,2-terc.butyl-p-kresol,phenol, 2-1,1-dimethylethyl-4-methyl,4-methyl-6-t-butylphenol PubChem CID: 17004 IUPAC Name: 2-tert-butyl-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)C(C)(C)C
| PubChem CID | 17004 |
|---|---|
| CAS | 2409-55-4 |
| Molecular Weight (g/mol) | 164.248 |
| MDL Number | MFCD00002381 |
| SMILES | CC1=CC(=C(C=C1)O)C(C)(C)C |
| Synonym | 2-tert-butyl-4-methylphenol,2-tert-butyl-p-cresol,2-t-butyl-p-cresol,p-cresol, 2-tert-butyl,o-tert-butyl-p-cresol,2-t-butyl-4-methylphenol,4-methyl-2-tert-butylphenol,2-terc.butyl-p-kresol,phenol, 2-1,1-dimethylethyl-4-methyl,4-methyl-6-t-butylphenol |
| IUPAC Name | 2-tert-butyl-4-methylphenol |
| InChI Key | IKEHOXWJQXIQAG-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |