Benzene and substituted derivatives
Filtered Search Results
4-Fluoroaniline, 98%
CAS: 371-40-4 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007829 InChI Key: KRZCOLNOCZKSDF-UHFFFAOYSA-N Synonym: p-fluoroaniline,benzenamine, 4-fluoro,1-amino-4-fluorobenzene,4-fluorobenzenamine,p-fluorophenylamine,4-fluoronaniline,aniline, p-fluoro,aniline, 4-fluoro,4-fluoranilin,para-fluoroaniline PubChem CID: 9731 ChEBI: CHEBI:28546 IUPAC Name: 4-fluoroaniline SMILES: NC1=CC=C(F)C=C1
| PubChem CID | 9731 |
|---|---|
| CAS | 371-40-4 |
| Molecular Weight (g/mol) | 111.12 |
| ChEBI | CHEBI:28546 |
| MDL Number | MFCD00007829 |
| SMILES | NC1=CC=C(F)C=C1 |
| Synonym | p-fluoroaniline,benzenamine, 4-fluoro,1-amino-4-fluorobenzene,4-fluorobenzenamine,p-fluorophenylamine,4-fluoronaniline,aniline, p-fluoro,aniline, 4-fluoro,4-fluoranilin,para-fluoroaniline |
| IUPAC Name | 4-fluoroaniline |
| InChI Key | KRZCOLNOCZKSDF-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
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 |
Diethylstilbestrol, 99%
CAS: 56-53-1 Molecular Formula: C18H20O2 Molecular Weight (g/mol): 268.36 MDL Number: MFCD00002373 InChI Key: RGLYKWWBQGJZGM-ISLYRVAYSA-N Synonym: diethylstilbestrol,stilbestrol,stilboestrol,distilbene,agostilben,estrobene,estromenin,stilboestroform,antigestil,palestrol PubChem CID: 448537 ChEBI: CHEBI:41922 SMILES: CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
| PubChem CID | 448537 |
|---|---|
| CAS | 56-53-1 |
| Molecular Weight (g/mol) | 268.36 |
| ChEBI | CHEBI:41922 |
| MDL Number | MFCD00002373 |
| SMILES | CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 |
| Synonym | diethylstilbestrol,stilbestrol,stilboestrol,distilbene,agostilben,estrobene,estromenin,stilboestroform,antigestil,palestrol |
| InChI Key | RGLYKWWBQGJZGM-ISLYRVAYSA-N |
| Molecular Formula | C18H20O2 |
DAPT
CAS: 208255-80-5 Molecular Formula: C23H26F2N2O4 Molecular Weight (g/mol): 432.468 MDL Number: MFCD04974585 InChI Key: DWJXYEABWRJFSP-XOBRGWDASA-N Synonym: dapt,dapt gsi-ix,gamma-secretase inhibitor ix,gsi-ix,insolution gamma-secretase inhibitor ix,s-tert-butyl 2-s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,n-n-3,5-difluorophenacetyl-l-alanyl-s-phenylglycine t-butyl ester,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetyl amino propanoyl amino-2-phenylacetate,gsiix PubChem CID: 5311272 ChEBI: CHEBI:86193 IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate SMILES: CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F
| PubChem CID | 5311272 |
|---|---|
| CAS | 208255-80-5 |
| Molecular Weight (g/mol) | 432.468 |
| ChEBI | CHEBI:86193 |
| MDL Number | MFCD04974585 |
| SMILES | CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F |
| Synonym | dapt,dapt gsi-ix,gamma-secretase inhibitor ix,gsi-ix,insolution gamma-secretase inhibitor ix,s-tert-butyl 2-s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,n-n-3,5-difluorophenacetyl-l-alanyl-s-phenylglycine t-butyl ester,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetyl amino propanoyl amino-2-phenylacetate,gsiix |
| IUPAC Name | tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate |
| InChI Key | DWJXYEABWRJFSP-XOBRGWDASA-N |
| Molecular Formula | C23H26F2N2O4 |
o-Toluidine, 99%
CAS: 95-53-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00007730 InChI Key: RNVCVTLRINQCPJ-UHFFFAOYSA-N Synonym: o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine PubChem CID: 7242 ChEBI: CHEBI:66892 IUPAC Name: 2-methylaniline SMILES: CC1=CC=CC=C1N
| PubChem CID | 7242 |
|---|---|
| CAS | 95-53-4 |
| Molecular Weight (g/mol) | 107.15 |
| ChEBI | CHEBI:66892 |
| MDL Number | MFCD00007730 |
| SMILES | CC1=CC=CC=C1N |
| Synonym | o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine |
| IUPAC Name | 2-methylaniline |
| InChI Key | RNVCVTLRINQCPJ-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Styrene, 99.5%, for analysis, stabilized
CAS: 100-42-5 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00008612,MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: styrene SMILES: C=CC1=CC=CC=C1
| PubChem CID | 7501 |
|---|---|
| CAS | 100-42-5 |
| Molecular Weight (g/mol) | 104.15 |
| ChEBI | CHEBI:27452 |
| MDL Number | MFCD00008612,MFCD00084450 |
| SMILES | C=CC1=CC=CC=C1 |
| Synonym | ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene |
| IUPAC Name | styrene |
| InChI Key | PPBRXRYQALVLMV-UHFFFAOYSA-N |
| Molecular Formula | C8H8 |
p-Terphenyl, 99+%
CAS: 92-94-4 Molecular Formula: C18H14 Molecular Weight (g/mol): 230.31 MDL Number: MFCD00003061 InChI Key: XJKSTNDFUHDPQJ-UHFFFAOYSA-N Synonym: p-terphenyl,1,1':4',1-terphenyl,p-diphenylbenzene,p-triphenyl,santowax p,4-phenylbiphenyl,4-phenyldiphenyl,para-terphenyl,biphenyl, 4-phenyl,pyrogallol tannin PubChem CID: 7115 ChEBI: CHEBI:52242 IUPAC Name: 1,4-diphenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
| PubChem CID | 7115 |
|---|---|
| CAS | 92-94-4 |
| Molecular Weight (g/mol) | 230.31 |
| ChEBI | CHEBI:52242 |
| MDL Number | MFCD00003061 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3 |
| Synonym | p-terphenyl,1,1':4',1-terphenyl,p-diphenylbenzene,p-triphenyl,santowax p,4-phenylbiphenyl,4-phenyldiphenyl,para-terphenyl,biphenyl, 4-phenyl,pyrogallol tannin |
| IUPAC Name | 1,4-diphenylbenzene |
| InChI Key | XJKSTNDFUHDPQJ-UHFFFAOYSA-N |
| Molecular Formula | C18H14 |
Dibutyl Phthalate 97.0+%, TCI America™
CAS: 84-74-2 Molecular Formula: C16H22O4 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00009441 InChI Key: DOIRQSBPFJWKBE-UHFFFAOYSA-N Synonym: dibutyl phthalate,di-n-butyl phthalate,n-butyl phthalate,butyl phthalate,celluflex dpb,elaol,genoplast b,palatinol c,polycizer dbp,unimoll db PubChem CID: 3026 ChEBI: CHEBI:34687 IUPAC Name: 1,2-dibutyl benzene-1,2-dicarboxylate SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
| PubChem CID | 3026 |
|---|---|
| CAS | 84-74-2 |
| Molecular Weight (g/mol) | 278.35 |
| ChEBI | CHEBI:34687 |
| MDL Number | MFCD00009441 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
| Synonym | dibutyl phthalate,di-n-butyl phthalate,n-butyl phthalate,butyl phthalate,celluflex dpb,elaol,genoplast b,palatinol c,polycizer dbp,unimoll db |
| IUPAC Name | 1,2-dibutyl benzene-1,2-dicarboxylate |
| InChI Key | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
| Molecular Formula | C16H22O4 |
Benzyl Alcohol, 99%, Pure
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
Cumene, 99%
CAS: 98-82-8 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.195 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1
| PubChem CID | 7406 |
|---|---|
| CAS | 98-82-8 |
| Molecular Weight (g/mol) | 120.195 |
| ChEBI | CHEBI:34656 |
| MDL Number | MFCD00008881 |
| SMILES | CC(C)C1=CC=CC=C1 |
| Synonym | isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano |
| IUPAC Name | cumene |
| InChI Key | RWGFKTVRMDUZSP-UHFFFAOYSA-N |
| Molecular Formula | C9H12 |
4-Bromo-3-nitrobenzoic acid, 95%
CAS: 6319-40-0 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00272137 InChI Key: RVCTZJVBWNFYRU-UHFFFAOYSA-N Synonym: 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid # PubChem CID: 232986 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br
| PubChem CID | 232986 |
|---|---|
| CAS | 6319-40-0 |
| Molecular Weight (g/mol) | 246.016 |
| MDL Number | MFCD00272137 |
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br |
| Synonym | 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid # |
| InChI Key | RVCTZJVBWNFYRU-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
4-Bromo-3-fluorobenzoic acid, 98+%, Thermo Scientific Chemicals
CAS: 153556-42-4 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00672932 InChI Key: RMYOGXPGIDWJLU-UHFFFAOYSA-N Synonym: 3-fluoro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-fluoro,3-fluoro-4-bromo benzoic acid,4-bromo-3-fluoro-benzoic acid,pubchem1316,intermediates-zcf02169,acmc-1c1h6,ksc497g7p,4-bromo-3-fluoro benzoic acid PubChem CID: 2773341 IUPAC Name: 4-bromo-3-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)Br
| PubChem CID | 2773341 |
|---|---|
| CAS | 153556-42-4 |
| Molecular Weight (g/mol) | 219.009 |
| MDL Number | MFCD00672932 |
| SMILES | C1=CC(=C(C=C1C(=O)O)F)Br |
| Synonym | 3-fluoro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-fluoro,3-fluoro-4-bromo benzoic acid,4-bromo-3-fluoro-benzoic acid,pubchem1316,intermediates-zcf02169,acmc-1c1h6,ksc497g7p,4-bromo-3-fluoro benzoic acid |
| IUPAC Name | 4-bromo-3-fluorobenzoic acid |
| InChI Key | RMYOGXPGIDWJLU-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO2 |
4-Chlorobenzotrifluoride, 98+%
CAS: 98-56-6 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000627 InChI Key: QULYNCCPRWKEMF-UHFFFAOYSA-N Synonym: 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene PubChem CID: 7394 IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Cl
| PubChem CID | 7394 |
|---|---|
| CAS | 98-56-6 |
| Molecular Weight (g/mol) | 180.554 |
| MDL Number | MFCD00000627 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)Cl |
| Synonym | 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene |
| IUPAC Name | 1-chloro-4-(trifluoromethyl)benzene |
| InChI Key | QULYNCCPRWKEMF-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3 |
1,6-Diphenyl-1,3,5-hexatriene, 95%
CAS: 1720-32-7 Molecular Formula: C18H16 Molecular Weight (g/mol): 232.32 MDL Number: MFCD00004793 InChI Key: BOBLSBAZCVBABY-WPWUJOAOSA-N Synonym: 1,6-diphenyl-1,3,5-hexatriene,1,6-diphenylhexatriene,diphenylhexatriene,dicinnamyl,1,6-diphenylhexa-1,3,5-triene,benzene, 1,1'-1,3,5-hexatriene-1,6-diyl bis,1,3,5-hexatriene, 1,6-diphenyl,1e,3e,5e-6-phenylhexa-1,3,5-trienyl benzene,1,1'-1e,3e,5e-hexa-1,3,5-triene-1,6-diyldibenzene PubChem CID: 5376733 ChEBI: CHEBI:51594 IUPAC Name: [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene SMILES: C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2
| PubChem CID | 5376733 |
|---|---|
| CAS | 1720-32-7 |
| Molecular Weight (g/mol) | 232.32 |
| ChEBI | CHEBI:51594 |
| MDL Number | MFCD00004793 |
| SMILES | C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2 |
| Synonym | 1,6-diphenyl-1,3,5-hexatriene,1,6-diphenylhexatriene,diphenylhexatriene,dicinnamyl,1,6-diphenylhexa-1,3,5-triene,benzene, 1,1'-1,3,5-hexatriene-1,6-diyl bis,1,3,5-hexatriene, 1,6-diphenyl,1e,3e,5e-6-phenylhexa-1,3,5-trienyl benzene,1,1'-1e,3e,5e-hexa-1,3,5-triene-1,6-diyldibenzene |
| IUPAC Name | [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene |
| InChI Key | BOBLSBAZCVBABY-WPWUJOAOSA-N |
| Molecular Formula | C18H16 |
Benzophenone, 99+%, pure
CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 3102 |
|---|---|
| CAS | 119-61-9 |
| Molecular Weight (g/mol) | 182.22 |
| ChEBI | CHEBI:41308 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone |
| IUPAC Name | diphenylmethanone |
| InChI Key | RWCCWEUUXYIKHB-UHFFFAOYSA-N |
| Molecular Formula | C13H10O |