Benzene and substituted derivatives
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4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene 98.0+%, TCI America™
CAS: 161265-03-8 Molecular Formula: C39H32OP2 Molecular Weight (g/mol): 578.63 MDL Number: MFCD00233866 InChI Key: CXNIUSPIQKWYAI-UHFFFAOYSA-N Synonym: xantphos,4,5-bis diphenylphosphino-9,9-dimethylxanthene,9,9-dimethyl-4,5-bis diphenylphosphino xanthene,9,9-dimethyl-9h-xanthene-4,5-diyl bis diphenylphosphine,dimethylbisdiphenylphosphinoxanthene,unii-nmu72mog9b,nmu72mog9b,9,9-dimethyl-9h-xanthene-4,5-diyl bis diphenylphosphane,5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl-diphenylphosphane,4,5-bis-diphenylphosphanyl-9,9-dimethyl-9h-xanthene PubChem CID: 636044 IUPAC Name: [5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphane SMILES: CC1(C)C2=C(OC3=C1C=CC=C3P(C1=CC=CC=C1)C1=CC=CC=C1)C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 636044 |
|---|---|
| CAS | 161265-03-8 |
| Molecular Weight (g/mol) | 578.63 |
| MDL Number | MFCD00233866 |
| SMILES | CC1(C)C2=C(OC3=C1C=CC=C3P(C1=CC=CC=C1)C1=CC=CC=C1)C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | xantphos,4,5-bis diphenylphosphino-9,9-dimethylxanthene,9,9-dimethyl-4,5-bis diphenylphosphino xanthene,9,9-dimethyl-9h-xanthene-4,5-diyl bis diphenylphosphine,dimethylbisdiphenylphosphinoxanthene,unii-nmu72mog9b,nmu72mog9b,9,9-dimethyl-9h-xanthene-4,5-diyl bis diphenylphosphane,5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl-diphenylphosphane,4,5-bis-diphenylphosphanyl-9,9-dimethyl-9h-xanthene |
| IUPAC Name | [5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphane |
| InChI Key | CXNIUSPIQKWYAI-UHFFFAOYSA-N |
| Molecular Formula | C39H32OP2 |
alpha,alpha,alpha-Trifluorotoluene, 99+%
CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.11 MDL Number: MFCD00000372 InChI Key: GETTZEONDQJALK-UHFFFAOYSA-N Synonym: benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene PubChem CID: 7368 ChEBI: CHEBI:36810 IUPAC Name: trifluoromethylbenzene SMILES: C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 7368 |
|---|---|
| CAS | 98-08-8 |
| Molecular Weight (g/mol) | 146.11 |
| ChEBI | CHEBI:36810 |
| MDL Number | MFCD00000372 |
| SMILES | C1=CC=C(C=C1)C(F)(F)F |
| Synonym | benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene |
| IUPAC Name | trifluoromethylbenzene |
| InChI Key | GETTZEONDQJALK-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3 |
3-Fluorobenzoic acid, 99%
CAS: 455-38-9 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002489 InChI Key: MXNBDFWNYRNIBH-UHFFFAOYSA-N Synonym: m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192 PubChem CID: 9968 ChEBI: CHEBI:20021 IUPAC Name: 3-fluorobenzoic acid SMILES: OC(=O)C1=CC=CC(F)=C1
| PubChem CID | 9968 |
|---|---|
| CAS | 455-38-9 |
| Molecular Weight (g/mol) | 140.11 |
| ChEBI | CHEBI:20021 |
| MDL Number | MFCD00002489 |
| SMILES | OC(=O)C1=CC=CC(F)=C1 |
| Synonym | m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192 |
| IUPAC Name | 3-fluorobenzoic acid |
| InChI Key | MXNBDFWNYRNIBH-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
1-Bromo-2,4-dinitrobenzene, 98%
CAS: 584-48-5 Molecular Formula: C6H3BrN2O4 Molecular Weight (g/mol): 247.004 MDL Number: MFCD00041873 InChI Key: PBOPJYORIDJAFE-UHFFFAOYSA-N PubChem CID: 11441 ChEBI: CHEBI:58999 IUPAC Name: 1-bromo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
| PubChem CID | 11441 |
|---|---|
| CAS | 584-48-5 |
| Molecular Weight (g/mol) | 247.004 |
| ChEBI | CHEBI:58999 |
| MDL Number | MFCD00041873 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br |
| IUPAC Name | 1-bromo-2,4-dinitrobenzene |
| InChI Key | PBOPJYORIDJAFE-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2O4 |
1,3,5-Triformylbenzene, 98%
CAS: 3163-76-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00182470 InChI Key: AEKQNAANFVOBCU-UHFFFAOYSA-N Synonym: 1,3,5-benzenetricarboxaldehyde,1,3,5-triformylbenzene,trimesaldehyde,1,3,5-benzenetricarbaldehyde,benzene-1,3,5-tricarboxaldehyde,trimesic formaldehyde,1,3,5-triformyl benzene,bzoh31,aekqnaanfvobcu-uhfffaoysa PubChem CID: 2747968 IUPAC Name: benzene-1,3,5-tricarbaldehyde SMILES: O=CC1=CC(C=O)=CC(C=O)=C1
| PubChem CID | 2747968 |
|---|---|
| CAS | 3163-76-6 |
| Molecular Weight (g/mol) | 162.14 |
| MDL Number | MFCD00182470 |
| SMILES | O=CC1=CC(C=O)=CC(C=O)=C1 |
| Synonym | 1,3,5-benzenetricarboxaldehyde,1,3,5-triformylbenzene,trimesaldehyde,1,3,5-benzenetricarbaldehyde,benzene-1,3,5-tricarboxaldehyde,trimesic formaldehyde,1,3,5-triformyl benzene,bzoh31,aekqnaanfvobcu-uhfffaoysa |
| IUPAC Name | benzene-1,3,5-tricarbaldehyde |
| InChI Key | AEKQNAANFVOBCU-UHFFFAOYSA-N |
| Molecular Formula | C9H6O3 |
2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid hydrate, tech. 85%, may cont. up to 10% 2-propanol
CAS: 4065-45-6 Molecular Formula: C14H12O6S Molecular Weight (g/mol): 308.30 MDL Number: MFCD00024962 InChI Key: CXVGEDCSTKKODG-UHFFFAOYSA-N Synonym: sulisobenzone,benzophenone-4,sungard,2-hydroxy-4-methoxybenzophenone-5-sulfonic acid,benzophenone 4,uval,uvinul,benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy,sulisobenzona,sulisobenzonum PubChem CID: 19988 IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid SMILES: COC1=CC(O)=C(C=C1S(O)(=O)=O)C(=O)C1=CC=CC=C1
| PubChem CID | 19988 |
|---|---|
| CAS | 4065-45-6 |
| Molecular Weight (g/mol) | 308.30 |
| MDL Number | MFCD00024962 |
| SMILES | COC1=CC(O)=C(C=C1S(O)(=O)=O)C(=O)C1=CC=CC=C1 |
| Synonym | sulisobenzone,benzophenone-4,sungard,2-hydroxy-4-methoxybenzophenone-5-sulfonic acid,benzophenone 4,uval,uvinul,benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy,sulisobenzona,sulisobenzonum |
| IUPAC Name | 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid |
| InChI Key | CXVGEDCSTKKODG-UHFFFAOYSA-N |
| Molecular Formula | C14H12O6S |
Thermo Scientific Chemicals Fenofibrate, 98%
Molecular Formula: C20H21ClO4 Molecular Weight (g/mol): 360.83 InChI Key: YMTINGFKWWXKFG-UHFFFAOYSA-N PubChem CID: 3339 ChEBI: CHEBI:5001
| PubChem CID | 3339 |
|---|---|
| Molecular Weight (g/mol) | 360.83 |
| ChEBI | CHEBI:5001 |
| InChI Key | YMTINGFKWWXKFG-UHFFFAOYSA-N |
| Molecular Formula | C20H21ClO4 |
p-Tolualdehyde, 97%
CAS: 104-87-0 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006954 InChI Key: FXLOVSHXALFLKQ-UHFFFAOYSA-N Synonym: p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde PubChem CID: 7725 ChEBI: CHEBI:28617 IUPAC Name: 4-methylbenzaldehyde SMILES: CC1=CC=C(C=C1)C=O
| PubChem CID | 7725 |
|---|---|
| CAS | 104-87-0 |
| Molecular Weight (g/mol) | 120.15 |
| ChEBI | CHEBI:28617 |
| MDL Number | MFCD00006954 |
| SMILES | CC1=CC=C(C=C1)C=O |
| Synonym | p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde |
| IUPAC Name | 4-methylbenzaldehyde |
| InChI Key | FXLOVSHXALFLKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
Diphenhydramine hydrochloride, 99%, Thermo Scientific Chemicals
CAS: 147-24-0 Molecular Formula: C17H22ClNO Molecular Weight (g/mol): 291.82 MDL Number: MFCD00012479 InChI Key: PCHPORCSPXIHLZ-UHFFFAOYSA-N Synonym: diphenhydramine hydrochloride,dimedrol,diphenhydramine hcl,carphenamine,bendylate,carphenex,cathejell,denydryl,diphamine,eldadryl PubChem CID: 8980 ChEBI: CHEBI:4637 IUPAC Name: hydrogen [2-(diphenylmethoxy)ethyl]dimethylamine chloride SMILES: [H+].[Cl-].CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 8980 |
|---|---|
| CAS | 147-24-0 |
| Molecular Weight (g/mol) | 291.82 |
| ChEBI | CHEBI:4637 |
| MDL Number | MFCD00012479 |
| SMILES | [H+].[Cl-].CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenhydramine hydrochloride,dimedrol,diphenhydramine hcl,carphenamine,bendylate,carphenex,cathejell,denydryl,diphamine,eldadryl |
| IUPAC Name | hydrogen [2-(diphenylmethoxy)ethyl]dimethylamine chloride |
| InChI Key | PCHPORCSPXIHLZ-UHFFFAOYSA-N |
| Molecular Formula | C17H22ClNO |
(5-Carboxypentyl)triphenylphosphonium bromide, 97%, Thermo Scientific Chemicals
CAS: 50889-29-7 Molecular Formula: C24H26BrO2P Molecular Weight (g/mol): 457.35 MDL Number: MFCD00055556 InChI Key: JUWYRPZTZSWLCY-UHFFFAOYSA-N Synonym: 5-carboxypentyl triphenylphosphonium bromide,5-carboxypentyl triphenyl phosphonium bromide,5-carboxypentyl triphenylphosphanium bromide,5-carboxypentyltriphenylphosphonium bromide,phosphonium, 5-carboxypentyl triphenyl-, bromide,acmc-20apmi,pxjvnuuwrjumaq-uhfffaoysa-m,5-carboxyamyl triphenylphosphonium bromide PubChem CID: 2779280 IUPAC Name: 5-carboxypentyl(triphenyl)phosphanium;bromide SMILES: [Br-].OC(=O)CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2779280 |
|---|---|
| CAS | 50889-29-7 |
| Molecular Weight (g/mol) | 457.35 |
| MDL Number | MFCD00055556 |
| SMILES | [Br-].OC(=O)CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 5-carboxypentyl triphenylphosphonium bromide,5-carboxypentyl triphenyl phosphonium bromide,5-carboxypentyl triphenylphosphanium bromide,5-carboxypentyltriphenylphosphonium bromide,phosphonium, 5-carboxypentyl triphenyl-, bromide,acmc-20apmi,pxjvnuuwrjumaq-uhfffaoysa-m,5-carboxyamyl triphenylphosphonium bromide |
| IUPAC Name | 5-carboxypentyl(triphenyl)phosphanium;bromide |
| InChI Key | JUWYRPZTZSWLCY-UHFFFAOYSA-N |
| Molecular Formula | C24H26BrO2P |
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 |
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 |
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 |