Benzene and substituted derivatives
Filtered Search Results
Linear alkylbenzenesulfonic acid, 97%
CAS: 68584-22-5 Molecular Formula: C18H30O3S Molecular Weight (g/mol): 326.495 MDL Number: MFCD00147445 InChI Key: QJRVOJKLQNSNDB-UHFFFAOYSA-N Synonym: p-3-dodecyl benzenesulphonic acid,c10-c16 alkylbenzenesulfonic acid,3-4-sulfophenyl dodecane,benzenesulfonic acid, 4-1-ethyldecyl,benzenesulfonic acid, c10-16-alkyl derivs.,dsstox_cid_7923,4-dodecan-3-yl benzenesulfonic acid,c10-c16 alkyl benzene sulfonic acid PubChem CID: 29249 IUPAC Name: 4-dodecan-3-ylbenzenesulfonic acid SMILES: CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O
| PubChem CID | 29249 |
|---|---|
| CAS | 68584-22-5 |
| Molecular Weight (g/mol) | 326.495 |
| MDL Number | MFCD00147445 |
| SMILES | CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O |
| Synonym | p-3-dodecyl benzenesulphonic acid,c10-c16 alkylbenzenesulfonic acid,3-4-sulfophenyl dodecane,benzenesulfonic acid, 4-1-ethyldecyl,benzenesulfonic acid, c10-16-alkyl derivs.,dsstox_cid_7923,4-dodecan-3-yl benzenesulfonic acid,c10-c16 alkyl benzene sulfonic acid |
| IUPAC Name | 4-dodecan-3-ylbenzenesulfonic acid |
| InChI Key | QJRVOJKLQNSNDB-UHFFFAOYSA-N |
| Molecular Formula | C18H30O3S |
Terephthalic Acid 99.0+%, TCI America™
CAS: 100-21-0 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 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) | 166.132 |
| 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 |
4-Isopropylphenol, 98%
CAS: 99-89-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00002372 InChI Key: YQUQWHNMBPIWGK-UHFFFAOYSA-N Synonym: 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol PubChem CID: 7465 IUPAC Name: 4-propan-2-ylphenol SMILES: CC(C)C1=CC=C(C=C1)O
| PubChem CID | 7465 |
|---|---|
| CAS | 99-89-8 |
| Molecular Weight (g/mol) | 136.19 |
| MDL Number | MFCD00002372 |
| SMILES | CC(C)C1=CC=C(C=C1)O |
| Synonym | 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol |
| IUPAC Name | 4-propan-2-ylphenol |
| InChI Key | YQUQWHNMBPIWGK-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
Miconazole, 97%
CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N Synonym: miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm PubChem CID: 4189 ChEBI: CHEBI:82892 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
| PubChem CID | 4189 |
|---|---|
| CAS | 22916-47-8 |
| Molecular Weight (g/mol) | 416.12 |
| ChEBI | CHEBI:82892 |
| MDL Number | MFCD00216019 |
| SMILES | ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1 |
| Synonym | miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm |
| IUPAC Name | 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole |
| InChI Key | BYBLEWFAAKGYCD-UHFFFAOYNA-N |
| Molecular Formula | C18H14Cl4N2O |
3-(2-Methoxyphenoxy)-1,2-propanediol, 98+%
CAS: 93-14-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00016873 InChI Key: HSRJKNPTNIJEKV-UHFFFAOYNA-N Synonym: guaifenesin,guaiphenesin,glyceryl guaiacolate,glycerol guaiacolate,guaiphenesine,guaiacol glyceryl ether,methphenoxydiol,aeronesin,breonesin,bronchol PubChem CID: 3516 IUPAC Name: 3-(2-methoxyphenoxy)propane-1,2-diol SMILES: COC1=CC=CC=C1OCC(O)CO
| PubChem CID | 3516 |
|---|---|
| CAS | 93-14-1 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00016873 |
| SMILES | COC1=CC=CC=C1OCC(O)CO |
| Synonym | guaifenesin,guaiphenesin,glyceryl guaiacolate,glycerol guaiacolate,guaiphenesine,guaiacol glyceryl ether,methphenoxydiol,aeronesin,breonesin,bronchol |
| IUPAC Name | 3-(2-methoxyphenoxy)propane-1,2-diol |
| InChI Key | HSRJKNPTNIJEKV-UHFFFAOYNA-N |
| Molecular Formula | C10H14O4 |
Thermo Scientific Chemicals 4-(Dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran, 96+%
CAS: 51325-91-8 Molecular Formula: C19H17N3O Molecular Weight (g/mol): 303.35 MDL Number: MFCD00051341 InChI Key: YLYPIBBGWLKELC-RMKNXTFCSA-N Synonym: unii-9s1wxc1zgn,dcm dye,dcm1,9s1wxc1zgn,4-dicyanomethylene-2-methyl-6-4-dimethylaminostyryl-4h-pyran,4-dicyanomethylene-2-methyl-6-4-dimethylamino styryl-4h-pyran,e-2-2-4-dimethylamino styryl-6-methyl-4h-pyran-4-ylidene malononitrile,2-2-4-dimethylamino phenyl ethenyl-6-methyl-4h-pyran-4-ylidene propanedinitrile,2-2-4-dimethylamino styryl-6-methyl-4h-pyran-4-ylidene malononitrile PubChem CID: 688222 IUPAC Name: 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile SMILES: CC1=CC(=C(C#N)C#N)C=C(O1)C=CC2=CC=C(C=C2)N(C)C
| PubChem CID | 688222 |
|---|---|
| CAS | 51325-91-8 |
| Molecular Weight (g/mol) | 303.35 |
| MDL Number | MFCD00051341 |
| SMILES | CC1=CC(=C(C#N)C#N)C=C(O1)C=CC2=CC=C(C=C2)N(C)C |
| Synonym | unii-9s1wxc1zgn,dcm dye,dcm1,9s1wxc1zgn,4-dicyanomethylene-2-methyl-6-4-dimethylaminostyryl-4h-pyran,4-dicyanomethylene-2-methyl-6-4-dimethylamino styryl-4h-pyran,e-2-2-4-dimethylamino styryl-6-methyl-4h-pyran-4-ylidene malononitrile,2-2-4-dimethylamino phenyl ethenyl-6-methyl-4h-pyran-4-ylidene propanedinitrile,2-2-4-dimethylamino styryl-6-methyl-4h-pyran-4-ylidene malononitrile |
| IUPAC Name | 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile |
| InChI Key | YLYPIBBGWLKELC-RMKNXTFCSA-N |
| Molecular Formula | C19H17N3O |
Triphenylphosphine, flake, 99%
CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11776 |
|---|---|
| CAS | 603-35-0 |
| Molecular Weight (g/mol) | 262.29 |
| MDL Number | MFCD00003043 MFCD20489348 |
| SMILES | C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin |
| IUPAC Name | triphenylphosphane |
| InChI Key | RIOQSEWOXXDEQQ-UHFFFAOYSA-N |
| Molecular Formula | C18H15P |
Diphenylmethane, 99+%
CAS: 101-81-5 Molecular Formula: C13H12 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00004781 InChI Key: CZZYITDELCSZES-UHFFFAOYSA-N Synonym: diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene PubChem CID: 7580 ChEBI: CHEBI:38884 IUPAC Name: benzylbenzene SMILES: C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7580 |
|---|---|
| CAS | 101-81-5 |
| Molecular Weight (g/mol) | 168.24 |
| ChEBI | CHEBI:38884 |
| MDL Number | MFCD00004781 |
| SMILES | C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene |
| IUPAC Name | benzylbenzene |
| InChI Key | CZZYITDELCSZES-UHFFFAOYSA-N |
| Molecular Formula | C13H12 |
2-Iodobenzaldehyde, 98%
CAS: 26260-02-6 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039570 InChI Key: WWKKTHALZAYYAI-UHFFFAOYSA-N Synonym: benzaldehyde, 2-iodo,o-iodobenzaldehyde,iodobenzaldehyde,benzaldehyde,iodo,2-iodobenzenealdehyde,pubchem3914,acmc-209upi,2-iodobenzaldehyde,ksc203m8l PubChem CID: 643439 IUPAC Name: 2-iodobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)I
| PubChem CID | 643439 |
|---|---|
| CAS | 26260-02-6 |
| Molecular Weight (g/mol) | 232.02 |
| MDL Number | MFCD00039570 |
| SMILES | C1=CC=C(C(=C1)C=O)I |
| Synonym | benzaldehyde, 2-iodo,o-iodobenzaldehyde,iodobenzaldehyde,benzaldehyde,iodo,2-iodobenzenealdehyde,pubchem3914,acmc-209upi,2-iodobenzaldehyde,ksc203m8l |
| IUPAC Name | 2-iodobenzaldehyde |
| InChI Key | WWKKTHALZAYYAI-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO |
Di-n-octyl phthalate, 98%
CAS: 117-84-0 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00015292 InChI Key: MQIUGAXCHLFZKX-UHFFFAOYSA-N Synonym: dioctyl phthalate,di-n-octyl phthalate,dinopol nop,n-octyl phthalate,vinicizer 85,phthalic acid, dioctyl ester,polycizer 162,dnop,phthalic acid di-n-octyl ester,dioctyl 1,2-benzenedicarboxylate PubChem CID: 8346 ChEBI: CHEBI:34679 IUPAC Name: dioctyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
| PubChem CID | 8346 |
|---|---|
| CAS | 117-84-0 |
| Molecular Weight (g/mol) | 390.564 |
| ChEBI | CHEBI:34679 |
| MDL Number | MFCD00015292 |
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC |
| Synonym | dioctyl phthalate,di-n-octyl phthalate,dinopol nop,n-octyl phthalate,vinicizer 85,phthalic acid, dioctyl ester,polycizer 162,dnop,phthalic acid di-n-octyl ester,dioctyl 1,2-benzenedicarboxylate |
| IUPAC Name | dioctyl benzene-1,2-dicarboxylate |
| InChI Key | MQIUGAXCHLFZKX-UHFFFAOYSA-N |
| Molecular Formula | C24H38O4 |
3-Bromo-4-methylaniline, 97%
CAS: 7745-91-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00134176 InChI Key: GRXMMIBZRMKADT-UHFFFAOYSA-N Synonym: 3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline PubChem CID: 82187 IUPAC Name: 3-bromo-4-methylaniline SMILES: CC1=CC=C(N)C=C1Br
| PubChem CID | 82187 |
|---|---|
| CAS | 7745-91-7 |
| Molecular Weight (g/mol) | 186.05 |
| MDL Number | MFCD00134176 |
| SMILES | CC1=CC=C(N)C=C1Br |
| Synonym | 3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline |
| IUPAC Name | 3-bromo-4-methylaniline |
| InChI Key | GRXMMIBZRMKADT-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |
4-Dimethylaminobenzaldehyde, 98%
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 |
Benzylamine hydrochloride, 99%
CAS: 3287-99-8 Molecular Formula: C7H9N·ClH Molecular Weight (g/mol): 143.62 MDL Number: MFCD00012852 InChI Key: XKXHCNPAFAXVRZ-UHFFFAOYSA-N Synonym: benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt PubChem CID: 2724127 IUPAC Name: phenylmethanamine;hydrochloride SMILES: C1=CC=C(C=C1)CN.Cl
| PubChem CID | 2724127 |
|---|---|
| CAS | 3287-99-8 |
| Molecular Weight (g/mol) | 143.62 |
| MDL Number | MFCD00012852 |
| SMILES | C1=CC=C(C=C1)CN.Cl |
| Synonym | benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt |
| IUPAC Name | phenylmethanamine;hydrochloride |
| InChI Key | XKXHCNPAFAXVRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H9N·ClH |
trans-Anethole, 99%
CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC
| PubChem CID | 637563 |
|---|---|
| CAS | 4180-23-8 |
| Molecular Weight (g/mol) | 148.2 |
| ChEBI | CHEBI:35616 |
| MDL Number | MFCD00009284 |
| SMILES | CC=CC1=CC=C(C=C1)OC |
| Synonym | anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI Key | RUVINXPYWBROJD-ONEGZZNKSA-N |
| Molecular Formula | C10H12O |
Methylene di-p-phenyl diisocyanate, 98%, flakes
CAS: 101-68-8 Molecular Formula: C15H10N2O2 Molecular Weight (g/mol): 250.26 MDL Number: MFCD00036131 InChI Key: UPMLOUAZCHDJJD-UHFFFAOYSA-N Synonym: 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate PubChem CID: 7570 ChEBI: CHEBI:53218 IUPAC Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
| PubChem CID | 7570 |
|---|---|
| CAS | 101-68-8 |
| Molecular Weight (g/mol) | 250.26 |
| ChEBI | CHEBI:53218 |
| MDL Number | MFCD00036131 |
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O |
| Synonym | 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate |
| IUPAC Name | 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene |
| InChI Key | UPMLOUAZCHDJJD-UHFFFAOYSA-N |
| Molecular Formula | C15H10N2O2 |