Benzene and substituted derivatives
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1,2,4-Tribromobenzene 95.0+%, TCI America™
CAS: 615-54-3 Molecular Formula: C6H3Br3 Molecular Weight (g/mol): 314.802 MDL Number: MFCD00000062 InChI Key: FWAJPSIPOULHHH-UHFFFAOYSA-N PubChem CID: 12002 IUPAC Name: 1,2,4-tribromobenzene SMILES: C1=CC(=C(C=C1Br)Br)Br
| PubChem CID | 12002 |
|---|---|
| CAS | 615-54-3 |
| Molecular Weight (g/mol) | 314.802 |
| MDL Number | MFCD00000062 |
| SMILES | C1=CC(=C(C=C1Br)Br)Br |
| IUPAC Name | 1,2,4-tribromobenzene |
| InChI Key | FWAJPSIPOULHHH-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br3 |
Tris(triphenylphosphine)rhodium(I) Chloride 98.0+%, TCI America™
CAS: 14694-95-2 Molecular Formula: C54H45ClP3Rh Molecular Weight (g/mol): 925.23 MDL Number: MFCD00010016 InChI Key: IXAYKDDZKIZSPV-UHFFFAOYSA-M Synonym: chlorotris triphenylphosphine rhodium i,chlorotris triphenylphosphine rhodium,tris triphenylphosphine rhodium i chloride,tris triphenylphosphine chlororhodium,wilkinson's catalyst,unii-0fv534bkev,tris triphenylphosphine rhodium chloride,0fv534bkev,rhodium; triphenylphosphane; chloride PubChem CID: 84599 IUPAC Name: λ¹-rhodium(1+) tris(triphenylphosphane) chloride SMILES: [Cl-].[Rh+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 84599 |
|---|---|
| CAS | 14694-95-2 |
| Molecular Weight (g/mol) | 925.23 |
| MDL Number | MFCD00010016 |
| SMILES | [Cl-].[Rh+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | chlorotris triphenylphosphine rhodium i,chlorotris triphenylphosphine rhodium,tris triphenylphosphine rhodium i chloride,tris triphenylphosphine chlororhodium,wilkinson's catalyst,unii-0fv534bkev,tris triphenylphosphine rhodium chloride,0fv534bkev,rhodium; triphenylphosphane; chloride |
| IUPAC Name | λ¹-rhodium(1+) tris(triphenylphosphane) chloride |
| InChI Key | IXAYKDDZKIZSPV-UHFFFAOYSA-M |
| Molecular Formula | C54H45ClP3Rh |
1,3,5-Triisopropylbenzene 95.0+%, TCI America™
CAS: 717-74-8 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00008890 InChI Key: VUMCUSHVMYIRMB-UHFFFAOYSA-N Synonym: 1,3,5-triisopropylbenzene,2,4,6-triisopropylbenzene,benzene, 1,3,5-tris 1-methylethyl,1,3,5-tris propan-2-yl benzene,unii-fr9y346wpb,benzene, 1,3,5-triisopropyl,fr9y346wpb,benzene, tris 1-methylethyl,pubchem13720,1,5-triisopropylbenzene PubChem CID: 12860 IUPAC Name: 1,3,5-tri(propan-2-yl)benzene SMILES: CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C
| PubChem CID | 12860 |
|---|---|
| CAS | 717-74-8 |
| Molecular Weight (g/mol) | 204.357 |
| MDL Number | MFCD00008890 |
| SMILES | CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C |
| Synonym | 1,3,5-triisopropylbenzene,2,4,6-triisopropylbenzene,benzene, 1,3,5-tris 1-methylethyl,1,3,5-tris propan-2-yl benzene,unii-fr9y346wpb,benzene, 1,3,5-triisopropyl,fr9y346wpb,benzene, tris 1-methylethyl,pubchem13720,1,5-triisopropylbenzene |
| IUPAC Name | 1,3,5-tri(propan-2-yl)benzene |
| InChI Key | VUMCUSHVMYIRMB-UHFFFAOYSA-N |
| Molecular Formula | C15H24 |
p-Toluenesulfonyl Isocyanate 95.0+%, TCI America™
CAS: 4083-64-1 Molecular Formula: C8H7NO3S Molecular Weight (g/mol): 197.21 MDL Number: MFCD00002030 InChI Key: VLJQDHDVZJXNQL-UHFFFAOYSA-N Synonym: tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate PubChem CID: 77703 IUPAC Name: 4-methylbenzene-1-sulfonyl isocyanate SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C=O
| PubChem CID | 77703 |
|---|---|
| CAS | 4083-64-1 |
| Molecular Weight (g/mol) | 197.21 |
| MDL Number | MFCD00002030 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
| Synonym | tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate |
| IUPAC Name | 4-methylbenzene-1-sulfonyl isocyanate |
| InChI Key | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3S |
Potassium Monomethyl Terephthalate 95.0+%, TCI America™
CAS: 42967-55-5 Molecular Formula: C9H7KO4 Molecular Weight (g/mol): 218.249 MDL Number: MFCD00058989 InChI Key: DWNDFZTVSFSFTB-UHFFFAOYSA-M Synonym: Terephthalic Acid Monomethyl Ester Potassium Salt PubChem CID: 23683753 IUPAC Name: potassium;4-methoxycarbonylbenzoate SMILES: COC(=O)C1=CC=C(C=C1)C(=O)[O-].[K+]
| PubChem CID | 23683753 |
|---|---|
| CAS | 42967-55-5 |
| Molecular Weight (g/mol) | 218.249 |
| MDL Number | MFCD00058989 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)[O-].[K+] |
| Synonym | Terephthalic Acid Monomethyl Ester Potassium Salt |
| IUPAC Name | potassium;4-methoxycarbonylbenzoate |
| InChI Key | DWNDFZTVSFSFTB-UHFFFAOYSA-M |
| Molecular Formula | C9H7KO4 |
1,2,3-Trimethoxybenzene 99.0+%, TCI America™
CAS: 634-36-6 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00008358 InChI Key: CRUILBNAQILVHZ-UHFFFAOYSA-N Synonym: methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene PubChem CID: 12462 ChEBI: CHEBI:86529 IUPAC Name: 1,2,3-trimethoxybenzene SMILES: COC1=C(C(=CC=C1)OC)OC
| PubChem CID | 12462 |
|---|---|
| CAS | 634-36-6 |
| Molecular Weight (g/mol) | 168.192 |
| ChEBI | CHEBI:86529 |
| MDL Number | MFCD00008358 |
| SMILES | COC1=C(C(=CC=C1)OC)OC |
| Synonym | methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene |
| IUPAC Name | 1,2,3-trimethoxybenzene |
| InChI Key | CRUILBNAQILVHZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
Potassium 2,4,5-Trichlorophenoxyacetate 98.0+%, TCI America™
CAS: 37785-57-2 Molecular Formula: C8H4Cl3KO3 Molecular Weight (g/mol): 293.565 MDL Number: MFCD00191590 InChI Key: LUDUIQAQFKIYND-UHFFFAOYSA-M Synonym: 2,4,5-Trichlorophenoxyacetic Acid Potassium Salt, 2,4,5-T Potassium Salt PubChem CID: 23684557 IUPAC Name: potassium;2-(2,4,5-trichlorophenoxy)acetate SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-].[K+]
| PubChem CID | 23684557 |
|---|---|
| CAS | 37785-57-2 |
| Molecular Weight (g/mol) | 293.565 |
| MDL Number | MFCD00191590 |
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-].[K+] |
| Synonym | 2,4,5-Trichlorophenoxyacetic Acid Potassium Salt, 2,4,5-T Potassium Salt |
| IUPAC Name | potassium;2-(2,4,5-trichlorophenoxy)acetate |
| InChI Key | LUDUIQAQFKIYND-UHFFFAOYSA-M |
| Molecular Formula | C8H4Cl3KO3 |
5-Chloro-2-iodoaniline 95.0+%, TCI America™
CAS: 6828-35-9 Molecular Formula: C6H5ClIN Molecular Weight (g/mol): 253.467 MDL Number: MFCD06738960 InChI Key: FEOMAFDDLHSVMO-UHFFFAOYSA-N Synonym: benzenamine, 5-chloro-2-iodo,5-chloro-2-iodo-phenylamine,5-chloro-2-iodo-benzenamine,5-chloro-2-iodophenylamine,2-amino-4-chloro-iodobenzene,pubchem5286,2-iodo-5-chloroaniline,5-chloro-2-iodoanilline,5-chloro-2-iodo-aniline,acmc-209o2s PubChem CID: 639697 IUPAC Name: 5-chloro-2-iodoaniline SMILES: C1=CC(=C(C=C1Cl)N)I
| PubChem CID | 639697 |
|---|---|
| CAS | 6828-35-9 |
| Molecular Weight (g/mol) | 253.467 |
| MDL Number | MFCD06738960 |
| SMILES | C1=CC(=C(C=C1Cl)N)I |
| Synonym | benzenamine, 5-chloro-2-iodo,5-chloro-2-iodo-phenylamine,5-chloro-2-iodo-benzenamine,5-chloro-2-iodophenylamine,2-amino-4-chloro-iodobenzene,pubchem5286,2-iodo-5-chloroaniline,5-chloro-2-iodoanilline,5-chloro-2-iodo-aniline,acmc-209o2s |
| IUPAC Name | 5-chloro-2-iodoaniline |
| InChI Key | FEOMAFDDLHSVMO-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClIN |
Carbonylchlorobis(triphenylphosphine)iridium(I) 95.0+%, TCI America™
CAS: 14871-41-1 Molecular Formula: C37H30ClIrOP2 Molecular Weight (g/mol): 780.26 MDL Number: MFCD00009590 InChI Key: PEPSDKMVHYXIMJ-UHFFFAOYSA-M Synonym: carbonylchlorobis triphenylphosphine iridium i PubChem CID: 78076234 IUPAC Name: chloroiridiumylium; methanidylidyneoxidanium; bis(triphenylphosphane) SMILES: Cl[Ir+].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 78076234 |
|---|---|
| CAS | 14871-41-1 |
| Molecular Weight (g/mol) | 780.26 |
| MDL Number | MFCD00009590 |
| SMILES | Cl[Ir+].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | carbonylchlorobis triphenylphosphine iridium i |
| IUPAC Name | chloroiridiumylium; methanidylidyneoxidanium; bis(triphenylphosphane) |
| InChI Key | PEPSDKMVHYXIMJ-UHFFFAOYSA-M |
| Molecular Formula | C37H30ClIrOP2 |
2-Chloro-4-(trifluoromethyl)phenol 98.0+%, TCI America™
CAS: 35852-58-5 Molecular Formula: C7H4ClF3O Molecular Weight (g/mol): 196.553 MDL Number: MFCD00042217 InChI Key: YNWKEXMSQQUMEL-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl phenol,3-chloro-4-hydroxybenzotrifluoride,2-chloro-4-trifuloromethyl phenol,phenol, 2-chloro-4-trifluoromethyl,2-chloro-4-trifluoromethyl-phenol,2-chloro-4-trifluoromethylphenl,pubchem4105,2chloro-4-trifluoromethylphenol,chloro-4-trifluoromethyl-phenol PubChem CID: 2736603 IUPAC Name: 2-chloro-4-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)O
| PubChem CID | 2736603 |
|---|---|
| CAS | 35852-58-5 |
| Molecular Weight (g/mol) | 196.553 |
| MDL Number | MFCD00042217 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)O |
| Synonym | 2-chloro-4-trifluoromethyl phenol,3-chloro-4-hydroxybenzotrifluoride,2-chloro-4-trifuloromethyl phenol,phenol, 2-chloro-4-trifluoromethyl,2-chloro-4-trifluoromethyl-phenol,2-chloro-4-trifluoromethylphenl,pubchem4105,2chloro-4-trifluoromethylphenol,chloro-4-trifluoromethyl-phenol |
| IUPAC Name | 2-chloro-4-(trifluoromethyl)phenol |
| InChI Key | YNWKEXMSQQUMEL-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3O |
4-Phenylsemicarbazide 98.0+%, TCI America™
CAS: 537-47-3 Molecular Formula: C7H9N3O Molecular Weight (g/mol): 151.169 MDL Number: MFCD00007590 InChI Key: MOCKWYUCPREFCZ-UHFFFAOYSA-N Synonym: 4-phenylsemicarbazide,n-phenylhydrazinecarboxamide,3-amino-1-phenylurea,hydrazinecarboxamide, n-phenyl,anilinoformylhydrazine,unii-bpu96sx57a,semicarbazide, 4-phenyl,bpu96sx57a,hydrazinecarboxanilide,anilinocarbonylhydrazine PubChem CID: 10837 IUPAC Name: 1-amino-3-phenylurea SMILES: C1=CC=C(C=C1)NC(=O)NN
| PubChem CID | 10837 |
|---|---|
| CAS | 537-47-3 |
| Molecular Weight (g/mol) | 151.169 |
| MDL Number | MFCD00007590 |
| SMILES | C1=CC=C(C=C1)NC(=O)NN |
| Synonym | 4-phenylsemicarbazide,n-phenylhydrazinecarboxamide,3-amino-1-phenylurea,hydrazinecarboxamide, n-phenyl,anilinoformylhydrazine,unii-bpu96sx57a,semicarbazide, 4-phenyl,bpu96sx57a,hydrazinecarboxanilide,anilinocarbonylhydrazine |
| IUPAC Name | 1-amino-3-phenylurea |
| InChI Key | MOCKWYUCPREFCZ-UHFFFAOYSA-N |
| Molecular Formula | C7H9N3O |
Diallyl Phthalate 98.0+%, TCI America™
CAS: 131-17-9 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00008646 InChI Key: QUDWYFHPNIMBFC-UHFFFAOYSA-N Synonym: diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st PubChem CID: 8560 IUPAC Name: bis(prop-2-enyl) benzene-1,2-dicarboxylate SMILES: C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
| PubChem CID | 8560 |
|---|---|
| CAS | 131-17-9 |
| Molecular Weight (g/mol) | 246.262 |
| MDL Number | MFCD00008646 |
| SMILES | C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C |
| Synonym | diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st |
| IUPAC Name | bis(prop-2-enyl) benzene-1,2-dicarboxylate |
| InChI Key | QUDWYFHPNIMBFC-UHFFFAOYSA-N |
| Molecular Formula | C14H14O4 |
Aniline Hydrogen Phthalate 98.0+%, TCI America™
CAS: 50930-79-5 Molecular Formula: C14H13NO4 Molecular Weight (g/mol): 259.261 MDL Number: MFCD00042034 InChI Key: QGPZXNSBZMHHSR-UHFFFAOYSA-N Synonym: aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt PubChem CID: 170940 IUPAC Name: aniline;phthalic acid SMILES: C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O
| PubChem CID | 170940 |
|---|---|
| CAS | 50930-79-5 |
| Molecular Weight (g/mol) | 259.261 |
| MDL Number | MFCD00042034 |
| SMILES | C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| Synonym | aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt |
| IUPAC Name | aniline;phthalic acid |
| InChI Key | QGPZXNSBZMHHSR-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO4 |
1-Phenyl-1-propanol 98.0+%, TCI America™
CAS: 93-54-9 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004564 InChI Key: DYUQAZSOFZSPHD-UHFFFAOYSA-N Synonym: 1-phenyl-1-propanol,phenycholon,fepar,ejibil,felicur,livonal,1-phenylpropanol,gallenperlen,phenylchol,bilergon PubChem CID: 7147 IUPAC Name: 1-phenylpropan-1-ol SMILES: CCC(C1=CC=CC=C1)O
| PubChem CID | 7147 |
|---|---|
| CAS | 93-54-9 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00004564 |
| SMILES | CCC(C1=CC=CC=C1)O |
| Synonym | 1-phenyl-1-propanol,phenycholon,fepar,ejibil,felicur,livonal,1-phenylpropanol,gallenperlen,phenylchol,bilergon |
| IUPAC Name | 1-phenylpropan-1-ol |
| InChI Key | DYUQAZSOFZSPHD-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
Ditridecyl Phthalate (mixture of branched chain isomers), TCI America™
CAS: 75359-31-8 Molecular Formula: C34H58O4 Molecular Weight (g/mol): 530.834 MDL Number: MFCD00048451 InChI Key: YCZJVRCZIPDYHH-UHFFFAOYSA-N Synonym: Phthalic Acid Ditridecyl Ester PubChem CID: 8379 IUPAC Name: ditridecyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCC
| PubChem CID | 8379 |
|---|---|
| CAS | 75359-31-8 |
| Molecular Weight (g/mol) | 530.834 |
| MDL Number | MFCD00048451 |
| SMILES | CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCC |
| Synonym | Phthalic Acid Ditridecyl Ester |
| IUPAC Name | ditridecyl benzene-1,2-dicarboxylate |
| InChI Key | YCZJVRCZIPDYHH-UHFFFAOYSA-N |
| Molecular Formula | C34H58O4 |