Benzene and substituted derivatives
Filtered Search Results
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 |
p-Toluenesulfonyl chloride, 98%
CAS: 98-59-9 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.64 MDL Number: MFCD00007450 InChI Key: YYROPELSRYBVMQ-UHFFFAOYSA-N Synonym: tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride PubChem CID: 7397 IUPAC Name: 4-methylbenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1)S(Cl)(=O)=O
| PubChem CID | 7397 |
|---|---|
| CAS | 98-59-9 |
| Molecular Weight (g/mol) | 190.64 |
| MDL Number | MFCD00007450 |
| SMILES | CC1=CC=C(C=C1)S(Cl)(=O)=O |
| Synonym | tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride |
| IUPAC Name | 4-methylbenzenesulfonyl chloride |
| InChI Key | YYROPELSRYBVMQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO2S |
trans-beta-Nitrostyrene, 97+%
CAS: 5153-67-3 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00007402 InChI Key: PIAOLBVUVDXHHL-VOTSOKGWSA-N Synonym: trans-beta-nitrostyrene,2-nitrovinyl benzene,e-2-nitrovinyl benzene,beta-nitrostyrene,2-nitro-1-phenylethylene,e-beta-nitrostyrene,2-nitroethenyl benzene,1-phenyl-2-nitroethene,beta-nitrosytrene,benzene, 2-nitroethenyl PubChem CID: 5284459 IUPAC Name: [(E)-2-nitroethenyl]benzene SMILES: [O-][N+](=O)\C=C\C1=CC=CC=C1
| PubChem CID | 5284459 |
|---|---|
| CAS | 5153-67-3 |
| Molecular Weight (g/mol) | 149.15 |
| MDL Number | MFCD00007402 |
| SMILES | [O-][N+](=O)\C=C\C1=CC=CC=C1 |
| Synonym | trans-beta-nitrostyrene,2-nitrovinyl benzene,e-2-nitrovinyl benzene,beta-nitrostyrene,2-nitro-1-phenylethylene,e-beta-nitrostyrene,2-nitroethenyl benzene,1-phenyl-2-nitroethene,beta-nitrosytrene,benzene, 2-nitroethenyl |
| IUPAC Name | [(E)-2-nitroethenyl]benzene |
| InChI Key | PIAOLBVUVDXHHL-VOTSOKGWSA-N |
| Molecular Formula | C8H7NO2 |
Fluconazole, 99%
CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.277 MDL Number: MFCD00274549 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N Synonym: fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol PubChem CID: 3365 ChEBI: CHEBI:46081 IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
| PubChem CID | 3365 |
|---|---|
| CAS | 86386-73-4 |
| Molecular Weight (g/mol) | 306.277 |
| ChEBI | CHEBI:46081 |
| MDL Number | MFCD00274549 |
| SMILES | C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O |
| Synonym | fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol |
| IUPAC Name | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol |
| InChI Key | RFHAOTPXVQNOHP-UHFFFAOYSA-N |
| Molecular Formula | C13H12F2N6O |
Benzethonium chloride, 97%
CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.08 MDL Number: MFCD00011742 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264 IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
| PubChem CID | 8478 |
|---|---|
| CAS | 121-54-0 |
| Molecular Weight (g/mol) | 448.08 |
| ChEBI | CHEBI:31264 |
| MDL Number | MFCD00011742 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] |
| Synonym | benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin |
| IUPAC Name | benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride |
| InChI Key | UREZNYTWGJKWBI-UHFFFAOYSA-M |
| Molecular Formula | C27H42ClNO2 |
5-Sulfosalicylic acid dihydrate, 98%
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 |
p-Anisic acid, 98%
CAS: 100-09-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Synonym: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O
| PubChem CID | 7478 |
|---|---|
| CAS | 100-09-4 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:40813 |
| MDL Number | MFCD00002542 |
| SMILES | COC1=CC=C(C=C1)C(O)=O |
| Synonym | p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer |
| IUPAC Name | 4-methoxybenzoic acid |
| InChI Key | ZEYHEAKUIGZSGI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Dimethylaminobenzaldehyde, ACS reagent
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
| PubChem CID | 7479 |
|---|---|
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00003381 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
Phenylhydrazine, 97%
CAS: 100-63-0 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00007573 InChI Key: HKOOXMFOFWEVGF-UHFFFAOYSA-N Synonym: hydrazinobenzene,hydrazine, phenyl,phenylhydrazin,monophenylhydrazine,phenyl hydrazine,1-phenylhydrazine,hydrazine-benzene,fenilidrazina,fenylhydrazine,fenylhydrazine dutch PubChem CID: 7516 ChEBI: CHEBI:27924 IUPAC Name: phenylhydrazine SMILES: NNC1=CC=CC=C1
| PubChem CID | 7516 |
|---|---|
| CAS | 100-63-0 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:27924 |
| MDL Number | MFCD00007573 |
| SMILES | NNC1=CC=CC=C1 |
| Synonym | hydrazinobenzene,hydrazine, phenyl,phenylhydrazin,monophenylhydrazine,phenyl hydrazine,1-phenylhydrazine,hydrazine-benzene,fenilidrazina,fenylhydrazine,fenylhydrazine dutch |
| IUPAC Name | phenylhydrazine |
| InChI Key | HKOOXMFOFWEVGF-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
Disodium terephthalate, 99+%
CAS: 10028-70-3 Molecular Formula: C8H4Na2O4 Molecular Weight (g/mol): 210.096 MDL Number: MFCD00013137 InChI Key: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonym: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? PubChem CID: 82305 IUPAC Name: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 82305 |
|---|---|
| CAS | 10028-70-3 |
| Molecular Weight (g/mol) | 210.096 |
| MDL Number | MFCD00013137 |
| SMILES | C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? |
| IUPAC Name | disodium;terephthalate |
| InChI Key | VIQSRHWJEKERKR-UHFFFAOYSA-L |
| Molecular Formula | C8H4Na2O4 |
Benzyl ether, 99%
CAS: 103-50-4 Molecular Formula: C14H14O Molecular Weight (g/mol): 198.26 MDL Number: MFCD00004780 InChI Key: MHDVGSVTJDSBDK-UHFFFAOYSA-N Synonym: dibenzyl ether,benzyl ether,benzyl oxide,dibenzylether,oxybis methylene dibenzene,plastikator ba,ba plasticizer,benzylether,ether, dibenzyl,plasticator ba PubChem CID: 7657 ChEBI: CHEBI:87411 IUPAC Name: phenylmethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCC2=CC=CC=C2
| PubChem CID | 7657 |
|---|---|
| CAS | 103-50-4 |
| Molecular Weight (g/mol) | 198.26 |
| ChEBI | CHEBI:87411 |
| MDL Number | MFCD00004780 |
| SMILES | C1=CC=C(C=C1)COCC2=CC=CC=C2 |
| Synonym | dibenzyl ether,benzyl ether,benzyl oxide,dibenzylether,oxybis methylene dibenzene,plastikator ba,ba plasticizer,benzylether,ether, dibenzyl,plasticator ba |
| IUPAC Name | phenylmethoxymethylbenzene |
| InChI Key | MHDVGSVTJDSBDK-UHFFFAOYSA-N |
| Molecular Formula | C14H14O |
p-Toluidine, 99%, crystalline molten mass
CAS: 106-49-0 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 InChI Key: RZXMPPFPUUCRFN-UHFFFAOYSA-N Synonym: p-toluidine,4-toluidine,p-tolylamine,4-aminotoluene,benzenamine, 4-methyl,4-methylbenzenamine,p-methylaniline,p-methylbenzenamine,p-toluidin,p-aminotoluene PubChem CID: 7813 ChEBI: CHEBI:37825 IUPAC Name: 4-methylaniline SMILES: CC1=CC=C(C=C1)N
| PubChem CID | 7813 |
|---|---|
| CAS | 106-49-0 |
| Molecular Weight (g/mol) | 107.16 |
| ChEBI | CHEBI:37825 |
| SMILES | CC1=CC=C(C=C1)N |
| Synonym | p-toluidine,4-toluidine,p-tolylamine,4-aminotoluene,benzenamine, 4-methyl,4-methylbenzenamine,p-methylaniline,p-methylbenzenamine,p-toluidin,p-aminotoluene |
| IUPAC Name | 4-methylaniline |
| InChI Key | RZXMPPFPUUCRFN-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Benzyltriphenylphosphonium Chloride, 99%
CAS: 1100-88-5 Molecular Formula: C25H22ClP Molecular Weight (g/mol): 388.87 MDL Number: MFCD00011913 InChI Key: USFRYJRPHFMVBZ-UHFFFAOYSA-M Synonym: benzyltriphenylphosphonium chloride,triphenylbenzylphosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride,benzyltriphenylphosphanium chloride,benzyl triphenylphosphonium chloride,benzyl-triphenyl-phosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride 1:1,triphenylbenzylphosphine, chloride,benzyl triphenyl phosphoniumchlorid PubChem CID: 70671 IUPAC Name: benzyl(triphenyl)phosphanium;chloride SMILES: [Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 70671 |
|---|---|
| CAS | 1100-88-5 |
| Molecular Weight (g/mol) | 388.87 |
| MDL Number | MFCD00011913 |
| SMILES | [Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | benzyltriphenylphosphonium chloride,triphenylbenzylphosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride,benzyltriphenylphosphanium chloride,benzyl triphenylphosphonium chloride,benzyl-triphenyl-phosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride 1:1,triphenylbenzylphosphine, chloride,benzyl triphenyl phosphoniumchlorid |
| IUPAC Name | benzyl(triphenyl)phosphanium;chloride |
| InChI Key | USFRYJRPHFMVBZ-UHFFFAOYSA-M |
| Molecular Formula | C25H22ClP |
Triphenyl phosphite, 99%
CAS: 101-02-0 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.28 InChI Key: HVLLSGMXQDNUAL-UHFFFAOYSA-N Synonym: phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 PubChem CID: 7540 IUPAC Name: triphenyl phosphite SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3
| PubChem CID | 7540 |
|---|---|
| CAS | 101-02-0 |
| Molecular Weight (g/mol) | 310.28 |
| SMILES | C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| Synonym | phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 |
| IUPAC Name | triphenyl phosphite |
| InChI Key | HVLLSGMXQDNUAL-UHFFFAOYSA-N |
| Molecular Formula | C18H15O3P |
Terephthalic acid, 99+%
CAS: 100-21-0 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonym: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene PubChem CID: 7489 ChEBI: CHEBI:15702 IUPAC Name: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O
| PubChem CID | 7489 |
|---|---|
| CAS | 100-21-0 |
| Molecular Weight (g/mol) | 166.13 |
| ChEBI | CHEBI:15702 |
| MDL Number | MFCD00002558 |
| SMILES | C1=CC(=CC=C1C(=O)O)C(=O)O |
| Synonym | p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene |
| IUPAC Name | terephthalic acid |
| InChI Key | KKEYFWRCBNTPAC-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |