Benzene and substituted derivatives
Filtered Search Results
2,6-Di-tert-butylphenol, 99%
CAS: 128-39-2 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00008820 InChI Key: DKCPKDPYUFEZCP-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 PubChem CID: 31405 IUPAC Name: 2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C
| PubChem CID | 31405 |
|---|---|
| CAS | 128-39-2 |
| Molecular Weight (g/mol) | 206.33 |
| MDL Number | MFCD00008820 |
| SMILES | CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C |
| Synonym | 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 |
| IUPAC Name | 2,6-ditert-butylphenol |
| InChI Key | DKCPKDPYUFEZCP-UHFFFAOYSA-N |
| Molecular Formula | C14H22O |
trans-4-Hydroxystilbene, 98%
CAS: 6554-98-9 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00002386 InChI Key: QVLMUEOXQBUPAH-VOTSOKGWSA-N Synonym: trans-4-hydroxystilbene,4-hydroxystilbene,4-styrylphenol,4-stilbenol,e-4-stilbenol,4-2-phenylethenyl phenol,4-2-phenylvinyl phenol,4-e-2-phenylethenyl phenol,e-4-hydroxystilbene,stilben-4-ol PubChem CID: 5284650 ChEBI: CHEBI:35101 IUPAC Name: 4-[(E)-2-phenylethenyl]phenol SMILES: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)O
| PubChem CID | 5284650 |
|---|---|
| CAS | 6554-98-9 |
| Molecular Weight (g/mol) | 196.25 |
| ChEBI | CHEBI:35101 |
| MDL Number | MFCD00002386 |
| SMILES | C1=CC=C(C=C1)C=CC2=CC=C(C=C2)O |
| Synonym | trans-4-hydroxystilbene,4-hydroxystilbene,4-styrylphenol,4-stilbenol,e-4-stilbenol,4-2-phenylethenyl phenol,4-2-phenylvinyl phenol,4-e-2-phenylethenyl phenol,e-4-hydroxystilbene,stilben-4-ol |
| IUPAC Name | 4-[(E)-2-phenylethenyl]phenol |
| InChI Key | QVLMUEOXQBUPAH-VOTSOKGWSA-N |
| Molecular Formula | C14H12O |
4-Nitrobenzyl alcohol, 99%
CAS: 619-73-8 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007376 InChI Key: JKTYGPATCNUWKN-UHFFFAOYSA-N Synonym: 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m PubChem CID: 69275 ChEBI: CHEBI:41214 IUPAC Name: (4-nitrophenyl)methanol SMILES: OCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 69275 |
|---|---|
| CAS | 619-73-8 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:41214 |
| MDL Number | MFCD00007376 |
| SMILES | OCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m |
| IUPAC Name | (4-nitrophenyl)methanol |
| InChI Key | JKTYGPATCNUWKN-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
2-Methylanisole, 99%
CAS: 578-58-5 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00008373 InChI Key: DTFKRVXLBCAIOZ-UHFFFAOYSA-N Synonym: 2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene PubChem CID: 33637 IUPAC Name: 1-methoxy-2-methylbenzene SMILES: CC1=CC=CC=C1OC
| PubChem CID | 33637 |
|---|---|
| CAS | 578-58-5 |
| Molecular Weight (g/mol) | 122.17 |
| MDL Number | MFCD00008373 |
| SMILES | CC1=CC=CC=C1OC |
| Synonym | 2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene |
| IUPAC Name | 1-methoxy-2-methylbenzene |
| InChI Key | DTFKRVXLBCAIOZ-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
Homovanillic acid, 98%
CAS: 306-08-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00004350 InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N Synonym: homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid PubChem CID: 1738 ChEBI: CHEBI:545959 IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)O
| PubChem CID | 1738 |
|---|---|
| CAS | 306-08-1 |
| Molecular Weight (g/mol) | 182.18 |
| ChEBI | CHEBI:545959 |
| MDL Number | MFCD00004350 |
| SMILES | COC1=C(C=CC(=C1)CC(=O)O)O |
| Synonym | homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid |
| IUPAC Name | 2-(4-hydroxy-3-methoxyphenyl)acetic acid |
| InChI Key | QRMZSPFSDQBLIX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Cinnamonitrile, 97%, predominantly trans
CAS: 1885-38-7 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N
| PubChem CID | 1550846 |
|---|---|
| CAS | 1885-38-7 |
| Molecular Weight (g/mol) | 129.16 |
| MDL Number | MFCD00001930 |
| SMILES | C1=CC=C(C=C1)C=CC#N |
| Synonym | cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile |
| IUPAC Name | (E)-3-phenylprop-2-enenitrile |
| InChI Key | ZWKNLRXFUTWSOY-QPJJXVBHSA-N |
| Molecular Formula | C9H7N |
Benzyltrimethylammonium dichloroiodate, 95%
CAS: 114971-52-7 Molecular Formula: C10H16Cl2IN Molecular Weight (g/mol): 348.049 MDL Number: MFCD00075259 InChI Key: PPDJNZTUDFPAHX-UHFFFAOYSA-N Synonym: benzyltrimethylammonium dichloroiodate,benzyltrimethylammonium dichloroiodide,btma-icl2,benzyl trimethylammonium dichloroiodate,benzyltrimethylazanium; dichloroiodanuide,pubchem21920,benzyltrimethylammoniumdichloroiodate PubChem CID: 2724680 SMILES: C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl
| PubChem CID | 2724680 |
|---|---|
| CAS | 114971-52-7 |
| Molecular Weight (g/mol) | 348.049 |
| MDL Number | MFCD00075259 |
| SMILES | C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl |
| Synonym | benzyltrimethylammonium dichloroiodate,benzyltrimethylammonium dichloroiodide,btma-icl2,benzyl trimethylammonium dichloroiodate,benzyltrimethylazanium; dichloroiodanuide,pubchem21920,benzyltrimethylammoniumdichloroiodate |
| InChI Key | PPDJNZTUDFPAHX-UHFFFAOYSA-N |
| Molecular Formula | C10H16Cl2IN |
2,4-Dichlorobenzyl chloride, 99%
CAS: 94-99-5 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000895 InChI Key: IRSVDHPYXFLLDS-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzyl chloride,2,4-dichloro-1-chloromethyl benzene,2,4-dichlorobenzylchloride,alpha,2,4-trichlorotoluene,benzene, 2,4-dichloro-1-chloromethyl,2,4-dichloro-1-chloromethyl-benzene,alpha2,4-trichlorotoluene,unii-85e96p2s3s,2,4-dcbc,toluene, .alpha.2,4-trichloro PubChem CID: 7212 IUPAC Name: 2,4-dichloro-1-(chloromethyl)benzene SMILES: ClCC1=CC=C(Cl)C=C1Cl
| PubChem CID | 7212 |
|---|---|
| CAS | 94-99-5 |
| Molecular Weight (g/mol) | 195.47 |
| MDL Number | MFCD00000895 |
| SMILES | ClCC1=CC=C(Cl)C=C1Cl |
| Synonym | 2,4-dichlorobenzyl chloride,2,4-dichloro-1-chloromethyl benzene,2,4-dichlorobenzylchloride,alpha,2,4-trichlorotoluene,benzene, 2,4-dichloro-1-chloromethyl,2,4-dichloro-1-chloromethyl-benzene,alpha2,4-trichlorotoluene,unii-85e96p2s3s,2,4-dcbc,toluene, .alpha.2,4-trichloro |
| IUPAC Name | 2,4-dichloro-1-(chloromethyl)benzene |
| InChI Key | IRSVDHPYXFLLDS-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3 |
1,4-Benzenedimethanol, 99%
CAS: 589-29-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004665 InChI Key: BWVAOONFBYYRHY-UHFFFAOYSA-N Synonym: 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene PubChem CID: 11506 IUPAC Name: [4-(hydroxymethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)CO
| PubChem CID | 11506 |
|---|---|
| CAS | 589-29-7 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00004665 |
| SMILES | C1=CC(=CC=C1CO)CO |
| Synonym | 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene |
| IUPAC Name | [4-(hydroxymethyl)phenyl]methanol |
| InChI Key | BWVAOONFBYYRHY-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
4-Aminohippuric acid, 99%
CAS: 61-78-9 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N
| PubChem CID | 2148 |
|---|---|
| CAS | 61-78-9 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:104011 |
| MDL Number | MFCD00007890 |
| SMILES | C1=CC(=CC=C1C(=O)NCC(=O)O)N |
| Synonym | 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine |
| IUPAC Name | 2-[(4-aminobenzoyl)amino]acetic acid |
| InChI Key | HSMNQINEKMPTIC-UHFFFAOYSA-N |
Sulfosalicylic Acid, Dihydrate, Crystal, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
| PubChem CID | 2723734 |
|---|---|
| CAS | 5965-83-3 |
| Molecular Weight (g/mol) | 250.27 |
| MDL Number | MFCD00007508,MFCD00149540 |
| SMILES | C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O |
| Synonym | 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd |
| InChI Key | NFYHZVWMQHQKRU-UHFFFAOYSA-N |
| Molecular Formula | C9H14O6S |
[3-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™
CAS: 871825-54-6 Molecular Formula: C10H11N3O Molecular Weight (g/mol): 189.22 MDL Number: MFCD08271929 InChI Key: PZRKSBSNVMSIJI-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,3-1h-1,2,4-triazol-1-yl methyl phenyl methanol,3-1,2,4-triazol-1-ylmethyl phenyl methanol,3-1h-1,2,4-triazol-1-yl methyl benzyl alcohol,3-1,2,4-triazolylmethyl phenyl methan-1-ol PubChem CID: 18525775 SMILES: OCC1=CC=CC(CN2C=NC=N2)=C1
| PubChem CID | 18525775 |
|---|---|
| CAS | 871825-54-6 |
| Molecular Weight (g/mol) | 189.22 |
| MDL Number | MFCD08271929 |
| SMILES | OCC1=CC=CC(CN2C=NC=N2)=C1 |
| Synonym | 3-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,3-1h-1,2,4-triazol-1-yl methyl phenyl methanol,3-1,2,4-triazol-1-ylmethyl phenyl methanol,3-1h-1,2,4-triazol-1-yl methyl benzyl alcohol,3-1,2,4-triazolylmethyl phenyl methan-1-ol |
| InChI Key | PZRKSBSNVMSIJI-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3O |
[2-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol, 97%, Thermo Scientific™
CAS: 884507-25-9 Molecular Formula: C10H11N3O Molecular Weight (g/mol): 189.218 MDL Number: MFCD09025844 InChI Key: OYFLAXVFVKLQPM-UHFFFAOYSA-N Synonym: 2-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1h-1,2,4-triazol-1-yl methyl phenyl methanol,2-1,2,4-triazolylmethyl phenyl methan-1-ol PubChem CID: 18525816 IUPAC Name: [2-(1,2,4-triazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC=C(C(=C1)CN2C=NC=N2)CO
| PubChem CID | 18525816 |
|---|---|
| CAS | 884507-25-9 |
| Molecular Weight (g/mol) | 189.218 |
| MDL Number | MFCD09025844 |
| SMILES | C1=CC=C(C(=C1)CN2C=NC=N2)CO |
| Synonym | 2-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1h-1,2,4-triazol-1-yl methyl phenyl methanol,2-1,2,4-triazolylmethyl phenyl methan-1-ol |
| IUPAC Name | [2-(1,2,4-triazol-1-ylmethyl)phenyl]methanol |
| InChI Key | OYFLAXVFVKLQPM-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3O |
4-Nitrobenzyl bromide, 97+%
CAS: 100-11-8 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00007373 InChI Key: VOLRSQPSJGXRNJ-UHFFFAOYSA-N Synonym: 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide PubChem CID: 66011 ChEBI: CHEBI:62822 IUPAC Name: 1-(bromomethyl)-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(CBr)C=C1
| PubChem CID | 66011 |
|---|---|
| CAS | 100-11-8 |
| Molecular Weight (g/mol) | 216.03 |
| ChEBI | CHEBI:62822 |
| MDL Number | MFCD00007373 |
| SMILES | [O-][N+](=O)C1=CC=C(CBr)C=C1 |
| Synonym | 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide |
| IUPAC Name | 1-(bromomethyl)-4-nitrobenzene |
| InChI Key | VOLRSQPSJGXRNJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
o-Tolylacetonitrile, 98+%
CAS: 22364-68-7 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00001904 InChI Key: WMGVPDQNPUQRND-UHFFFAOYSA-N Synonym: 2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile PubChem CID: 31155 ChEBI: CHEBI:27982 IUPAC Name: 2-(2-methylphenyl)acetonitrile SMILES: CC1=CC=CC=C1CC#N
| PubChem CID | 31155 |
|---|---|
| CAS | 22364-68-7 |
| Molecular Weight (g/mol) | 131.178 |
| ChEBI | CHEBI:27982 |
| MDL Number | MFCD00001904 |
| SMILES | CC1=CC=CC=C1CC#N |
| Synonym | 2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile |
| IUPAC Name | 2-(2-methylphenyl)acetonitrile |
| InChI Key | WMGVPDQNPUQRND-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |