Benzene and substituted derivatives
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Benzyl chloride, 99%, stab.
CAS: 100-44-7 Molecular Formula: C7H7Cl Molecular Weight (g/mol): 126.583 MDL Number: MFCD00000889 InChI Key: KCXMKQUNVWSEMD-UHFFFAOYSA-N Synonym: benzyl chloride,chloromethyl benzene,benzylchloride,alpha-chlorotoluene,benzylchlorid,chlorophenylmethane,benzene, chloromethyl,chlorure de benzyle,tolyl chloride,alpha-chlortoluol PubChem CID: 7503 ChEBI: CHEBI:615597 IUPAC Name: chloromethylbenzene SMILES: C1=CC=C(C=C1)CCl
| PubChem CID | 7503 |
|---|---|
| CAS | 100-44-7 |
| Molecular Weight (g/mol) | 126.583 |
| ChEBI | CHEBI:615597 |
| MDL Number | MFCD00000889 |
| SMILES | C1=CC=C(C=C1)CCl |
| Synonym | benzyl chloride,chloromethyl benzene,benzylchloride,alpha-chlorotoluene,benzylchlorid,chlorophenylmethane,benzene, chloromethyl,chlorure de benzyle,tolyl chloride,alpha-chlortoluol |
| IUPAC Name | chloromethylbenzene |
| InChI Key | KCXMKQUNVWSEMD-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl |
m-Toluidine, 99%
CAS: 108-44-1 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00007808 InChI Key: JJYPMNFTHPTTDI-UHFFFAOYSA-N Synonym: m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine PubChem CID: 7934 IUPAC Name: 3-methylaniline SMILES: CC1=CC=CC(N)=C1
| PubChem CID | 7934 |
|---|---|
| CAS | 108-44-1 |
| Molecular Weight (g/mol) | 107.16 |
| MDL Number | MFCD00007808 |
| SMILES | CC1=CC=CC(N)=C1 |
| Synonym | m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine |
| IUPAC Name | 3-methylaniline |
| InChI Key | JJYPMNFTHPTTDI-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
p-Anisidine, 99%
CAS: 104-94-9 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007864 InChI Key: BHAAPTBBJKJZER-UHFFFAOYSA-N Synonym: p-anisidine,4-anisidine,4-methoxybenzenamine,4-aminoanisole,p-aminoanisole,para-anisidine,p-methoxyaniline,benzenamine, 4-methoxy,4-methoxybenzeneamine,p-anisylamine PubChem CID: 7732 ChEBI: CHEBI:82388 IUPAC Name: 4-methoxyaniline SMILES: COC1=CC=C(C=C1)N
| PubChem CID | 7732 |
|---|---|
| CAS | 104-94-9 |
| Molecular Weight (g/mol) | 123.15 |
| ChEBI | CHEBI:82388 |
| MDL Number | MFCD00007864 |
| SMILES | COC1=CC=C(C=C1)N |
| Synonym | p-anisidine,4-anisidine,4-methoxybenzenamine,4-aminoanisole,p-aminoanisole,para-anisidine,p-methoxyaniline,benzenamine, 4-methoxy,4-methoxybenzeneamine,p-anisylamine |
| IUPAC Name | 4-methoxyaniline |
| InChI Key | BHAAPTBBJKJZER-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Methyl 4-hydroxybenzoate, 99%
CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002352 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N Synonym: methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m PubChem CID: 7456 ChEBI: CHEBI:31835 IUPAC Name: methyl 4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7456 |
|---|---|
| CAS | 99-76-3 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:31835 |
| MDL Number | MFCD00002352 |
| SMILES | COC(=O)C1=CC=C(C=C1)O |
| Synonym | methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m |
| IUPAC Name | methyl 4-hydroxybenzoate |
| InChI Key | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
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 |
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 |
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 |
p-Aminobenzoic acid, 99.82%, MP Biomedicals™
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
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 |
2,6-Di-tert-butyl-p-cresol 99.0+%, TCI America™
CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 31404 |
|---|---|
| CAS | 128-37-0 |
| Molecular Weight (g/mol) | 220.356 |
| ChEBI | CHEBI:34247 |
| MDL Number | MFCD00011644 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Synonym | 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| InChI Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |
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 |