Benzene and substituted derivatives
Filtered Search Results
Hippuric acid, 98%
CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 IUPAC Name: 2-benzamidoacetic acid SMILES: OC(=O)CNC(=O)C1=CC=CC=C1
| PubChem CID | 464 |
|---|---|
| CAS | 495-69-2 |
| Molecular Weight (g/mol) | 179.18 |
| ChEBI | CHEBI:18089 |
| MDL Number | MFCD00002692 |
| SMILES | OC(=O)CNC(=O)C1=CC=CC=C1 |
| Synonym | hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure |
| IUPAC Name | 2-benzamidoacetic acid |
| InChI Key | QIAFMBKCNZACKA-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
2,6-Dichlorobenzoyl chloride, 98%
CAS: 4659-45-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000662 InChI Key: JBLIDPPHFGWTKU-UHFFFAOYSA-N Synonym: benzoyl chloride, 2,6-dichloro,2,6-dichlorobenzoylchloride,unii-394f6s81wy,2,6-dichloro-benzoyl chloride,ccris 8617,pubchem18674,acmc-209k7i,2.6-dichlorobenzoylchloride,dsstox_cid_12891,dsstox_rid_79043 PubChem CID: 78392 IUPAC Name: 2,6-dichlorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl
| PubChem CID | 78392 |
|---|---|
| CAS | 4659-45-4 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00000662 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl |
| Synonym | benzoyl chloride, 2,6-dichloro,2,6-dichlorobenzoylchloride,unii-394f6s81wy,2,6-dichloro-benzoyl chloride,ccris 8617,pubchem18674,acmc-209k7i,2.6-dichlorobenzoylchloride,dsstox_cid_12891,dsstox_rid_79043 |
| IUPAC Name | 2,6-dichlorobenzoyl chloride |
| InChI Key | JBLIDPPHFGWTKU-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%
CAS: 16588-74-2 Molecular Formula: C9H3F6NO Molecular Weight (g/mol): 255.12 MDL Number: MFCD00013559 InChI Key: NRSSOFNMWSJECS-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate PubChem CID: 2733314 IUPAC Name: 1-isocyanato-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F
| PubChem CID | 2733314 |
|---|---|
| CAS | 16588-74-2 |
| Molecular Weight (g/mol) | 255.12 |
| MDL Number | MFCD00013559 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate |
| IUPAC Name | 1-isocyanato-3,5-bis(trifluoromethyl)benzene |
| InChI Key | NRSSOFNMWSJECS-UHFFFAOYSA-N |
| Molecular Formula | C9H3F6NO |
Diphenyl chlorophosphate, 98%
CAS: 2524-64-3 Molecular Formula: C12H10ClO3P Molecular Weight (g/mol): 268.63 MDL Number: MFCD00003030 InChI Key: BHIIGRBMZRSDRI-UHFFFAOYSA-N Synonym: diphenyl chlorophosphate,diphenyl phosphorochloridate,diphenylchlorophosphate,phosphorochloridic acid, diphenyl ester,chlorodiphenyl phosphate,o,o-diphenyl chlorophosphate,chlorodiphenoxyphosphine oxide,diphenoxychlorophosphine oxide,diphenyl chlorophosphonate,diphenylphosphoric acid monochloride PubChem CID: 75654 IUPAC Name: [chloro(phenoxy)phosphoryl]oxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl
| PubChem CID | 75654 |
|---|---|
| CAS | 2524-64-3 |
| Molecular Weight (g/mol) | 268.63 |
| MDL Number | MFCD00003030 |
| SMILES | C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl |
| Synonym | diphenyl chlorophosphate,diphenyl phosphorochloridate,diphenylchlorophosphate,phosphorochloridic acid, diphenyl ester,chlorodiphenyl phosphate,o,o-diphenyl chlorophosphate,chlorodiphenoxyphosphine oxide,diphenoxychlorophosphine oxide,diphenyl chlorophosphonate,diphenylphosphoric acid monochloride |
| IUPAC Name | [chloro(phenoxy)phosphoryl]oxybenzene |
| InChI Key | BHIIGRBMZRSDRI-UHFFFAOYSA-N |
| Molecular Formula | C12H10ClO3P |
4-Fluorobenzaldehyde, 98%
CAS: 459-57-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.114 MDL Number: MFCD00003378 InChI Key: UOQXIWFBQSVDPP-UHFFFAOYSA-N Synonym: p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde PubChem CID: 68023 IUPAC Name: 4-fluorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)F
| PubChem CID | 68023 |
|---|---|
| CAS | 459-57-4 |
| Molecular Weight (g/mol) | 124.114 |
| MDL Number | MFCD00003378 |
| SMILES | C1=CC(=CC=C1C=O)F |
| Synonym | p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde |
| IUPAC Name | 4-fluorobenzaldehyde |
| InChI Key | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO |
4-(tert-Butyl)phenyl isocyanate, 97%, Thermo Scientific™
CAS: 1943-67-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00040718 InChI Key: WUWBDQJTQTVBSQ-UHFFFAOYSA-N Synonym: 4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate PubChem CID: 2735695 IUPAC Name: 1-tert-butyl-4-isocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=O
| PubChem CID | 2735695 |
|---|---|
| CAS | 1943-67-5 |
| Molecular Weight (g/mol) | 175.231 |
| MDL Number | MFCD00040718 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)N=C=O |
| Synonym | 4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate |
| IUPAC Name | 1-tert-butyl-4-isocyanatobenzene |
| InChI Key | WUWBDQJTQTVBSQ-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO |
3-(Trifluoromethyl)benzyl chloride, 98%
CAS: 705-29-3 Molecular Formula: C8H6ClF3 Molecular Weight (g/mol): 194.581 MDL Number: MFCD00000908 InChI Key: XGASTRVQNVVYIZ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride PubChem CID: 69716 IUPAC Name: 1-(chloromethyl)-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCl
| PubChem CID | 69716 |
|---|---|
| CAS | 705-29-3 |
| Molecular Weight (g/mol) | 194.581 |
| MDL Number | MFCD00000908 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CCl |
| Synonym | 3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride |
| IUPAC Name | 1-(chloromethyl)-3-(trifluoromethyl)benzene |
| InChI Key | XGASTRVQNVVYIZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClF3 |
2,5-Di-tert-butylhydroquinone, 99%
CAS: 88-58-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008825 InChI Key: JZODKRWQWUWGCD-UHFFFAOYSA-N Synonym: 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone PubChem CID: 2374 ChEBI: CHEBI:41094 IUPAC Name: 2,5-ditert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
| PubChem CID | 2374 |
|---|---|
| CAS | 88-58-4 |
| Molecular Weight (g/mol) | 222.33 |
| ChEBI | CHEBI:41094 |
| MDL Number | MFCD00008825 |
| SMILES | CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C |
| Synonym | 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone |
| IUPAC Name | 2,5-ditert-butylbenzene-1,4-diol |
| InChI Key | JZODKRWQWUWGCD-UHFFFAOYSA-N |
| Molecular Formula | C14H22O2 |
[3-(2-Morpholinoethoxy)phenyl]methanol, 97%, Thermo Scientific™
CAS: 857284-07-2 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD07772846 InChI Key: DZHYOLUKMGNRTO-UHFFFAOYSA-N Synonym: 3-2-morpholinoethoxy phenyl methanol,3-2-morpholin-4-yl ethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methan-1-ol PubChem CID: 7164622 IUPAC Name: [3-(2-morpholin-4-ylethoxy)phenyl]methanol SMILES: C1COCCN1CCOC2=CC=CC(=C2)CO
| PubChem CID | 7164622 |
|---|---|
| CAS | 857284-07-2 |
| Molecular Weight (g/mol) | 237.299 |
| MDL Number | MFCD07772846 |
| SMILES | C1COCCN1CCOC2=CC=CC(=C2)CO |
| Synonym | 3-2-morpholinoethoxy phenyl methanol,3-2-morpholin-4-yl ethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methan-1-ol |
| IUPAC Name | [3-(2-morpholin-4-ylethoxy)phenyl]methanol |
| InChI Key | DZHYOLUKMGNRTO-UHFFFAOYSA-N |
| Molecular Formula | C13H19NO3 |
(Ethoxycarbonylmethylene)triphenylphosphorane, 98+%
CAS: 1099-45-2 Molecular Formula: C22H21O2P Molecular Weight (g/mol): 348.38 MDL Number: MFCD00009183 InChI Key: IIHPVYJPDKJYOU-UHFFFAOYSA-N Synonym: carbethoxymethylene triphenylphosphorane,ethyl triphenylphosphoranylidene acetate,triphenylcarbethoxymethylenephosphorane,acetic acid, triphenylphosphoranylidene-, ethyl ester,ethyl 2-triphenylphosphoranylidene acetate,ethoxycarbonylmethylene triphenylphosphorane,carboethoxymethylidenetriphenylphosphorane,ethyl triphenylphosphoranilidene acetate,carbethoxytriphenylphosphonium methylide,carbethoxymethylidenetriphenylphosphorane PubChem CID: 70670 IUPAC Name: ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate SMILES: CCOC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 70670 |
|---|---|
| CAS | 1099-45-2 |
| Molecular Weight (g/mol) | 348.38 |
| MDL Number | MFCD00009183 |
| SMILES | CCOC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | carbethoxymethylene triphenylphosphorane,ethyl triphenylphosphoranylidene acetate,triphenylcarbethoxymethylenephosphorane,acetic acid, triphenylphosphoranylidene-, ethyl ester,ethyl 2-triphenylphosphoranylidene acetate,ethoxycarbonylmethylene triphenylphosphorane,carboethoxymethylidenetriphenylphosphorane,ethyl triphenylphosphoranilidene acetate,carbethoxytriphenylphosphonium methylide,carbethoxymethylidenetriphenylphosphorane |
| IUPAC Name | ethyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate |
| InChI Key | IIHPVYJPDKJYOU-UHFFFAOYSA-N |
| Molecular Formula | C22H21O2P |
4,4'-cis-Stilbenedicarboxylic acid, 95%
CAS: 133005-88-6 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.268 MDL Number: MFCD00013994 InChI Key: SBBQDUFLZGOASY-UPHRSURJSA-N Synonym: 4-z-2-4-carboxyphenyl ethenyl benzoic acid,cis-stilbene-4,4'-dicarboxylic acid,z-4,4'-ethene-1,2-diyl dibenzoic acid,cis-4,4'-dicarboxystilbene,z-4,4'-stilbene dicarboxylic acid,z-stilbene-4,4'-dicarboxylic acid,4,4'-cis-stilbenedicarboxylic acid PubChem CID: 18647961 IUPAC Name: 4-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O
| PubChem CID | 18647961 |
|---|---|
| CAS | 133005-88-6 |
| Molecular Weight (g/mol) | 268.268 |
| MDL Number | MFCD00013994 |
| SMILES | C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O |
| Synonym | 4-z-2-4-carboxyphenyl ethenyl benzoic acid,cis-stilbene-4,4'-dicarboxylic acid,z-4,4'-ethene-1,2-diyl dibenzoic acid,cis-4,4'-dicarboxystilbene,z-4,4'-stilbene dicarboxylic acid,z-stilbene-4,4'-dicarboxylic acid,4,4'-cis-stilbenedicarboxylic acid |
| IUPAC Name | 4-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid |
| InChI Key | SBBQDUFLZGOASY-UPHRSURJSA-N |
| Molecular Formula | C16H12O4 |
Chloro(triphenylphosphine)gold(I), Premion™, 99.99% (metals basis), Au 39.3% min
CAS: 14243-64-2 Molecular Formula: C18H15AuClP Molecular Weight (g/mol): 494.71 MDL Number: MFCD00009588 InChI Key: IFPWCRBNZXUWGC-UHFFFAOYSA-M Synonym: chloro triphenylphosphine gold i,chloro triphenylphosphine gold,chlorotriphenylphosphine gold i,triphenylphosphinegold i chloride,aucl pph3,pubchem16017,ph3p aucl,chlorogold; triphenylphosphane,chlorogold; triphenylphosphine,chloranylgold; triphenylphosphane PubChem CID: 10874691 IUPAC Name: chlorogold;triphenylphosphane SMILES: Cl[Au].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 10874691 |
|---|---|
| CAS | 14243-64-2 |
| Molecular Weight (g/mol) | 494.71 |
| MDL Number | MFCD00009588 |
| SMILES | Cl[Au].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | chloro triphenylphosphine gold i,chloro triphenylphosphine gold,chlorotriphenylphosphine gold i,triphenylphosphinegold i chloride,aucl pph3,pubchem16017,ph3p aucl,chlorogold; triphenylphosphane,chlorogold; triphenylphosphine,chloranylgold; triphenylphosphane |
| IUPAC Name | chlorogold;triphenylphosphane |
| InChI Key | IFPWCRBNZXUWGC-UHFFFAOYSA-M |
| Molecular Formula | C18H15AuClP |
4-tert-Butylphenylacetylene, 90+%
CAS: 772-38-3 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.244 MDL Number: MFCD00190197 InChI Key: ZSYQVVKVKBVHIL-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene PubChem CID: 2757302 IUPAC Name: 1-tert-butyl-4-ethynylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C#C
| PubChem CID | 2757302 |
|---|---|
| CAS | 772-38-3 |
| Molecular Weight (g/mol) | 158.244 |
| MDL Number | MFCD00190197 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C#C |
| Synonym | 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene |
| IUPAC Name | 1-tert-butyl-4-ethynylbenzene |
| InChI Key | ZSYQVVKVKBVHIL-UHFFFAOYSA-N |
| Molecular Formula | C12H14 |
Cyclohexyldiphenylphosphine oxide, 98+%
CAS: 13689-20-8 Molecular Formula: C18H21OP Molecular Weight (g/mol): 284.34 MDL Number: MFCD00014301 InChI Key: ICVUZKQDJNUMKC-UHFFFAOYSA-N Synonym: cyclohexyldiphenylphosphine oxide,diphenyl cyclohexyl phosphine oxide,cyclohexyldiphenylphosphineoxide,phosphine oxide, cyclohexyldiphenyl,cyclohexyl diphenyl phosphineoxide,acmc-20alcj,diphenylphosphinyl cyclohexane,cyclohexyldiphenylphosphino-1-one,cyclohexyl-phenylphosphoryl benzene,cyclohexyl phenyl phosphoryl benzene PubChem CID: 83664 IUPAC Name: [cyclohexyl(phenyl)phosphoryl]benzene SMILES: O=P(C1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 83664 |
|---|---|
| CAS | 13689-20-8 |
| Molecular Weight (g/mol) | 284.34 |
| MDL Number | MFCD00014301 |
| SMILES | O=P(C1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | cyclohexyldiphenylphosphine oxide,diphenyl cyclohexyl phosphine oxide,cyclohexyldiphenylphosphineoxide,phosphine oxide, cyclohexyldiphenyl,cyclohexyl diphenyl phosphineoxide,acmc-20alcj,diphenylphosphinyl cyclohexane,cyclohexyldiphenylphosphino-1-one,cyclohexyl-phenylphosphoryl benzene,cyclohexyl phenyl phosphoryl benzene |
| IUPAC Name | [cyclohexyl(phenyl)phosphoryl]benzene |
| InChI Key | ICVUZKQDJNUMKC-UHFFFAOYSA-N |
| Molecular Formula | C18H21OP |