Benzene and substituted derivatives
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3,4,6-Tri-O-benzyl-D-glucal, 97%
CAS: 55628-54-1 Molecular Formula: C27H28O4 Molecular Weight (g/mol): 416.517 MDL Number: MFCD00061640 InChI Key: MXYLLYBWXIUMIT-PFBJBMPXSA-N Synonym: 3,4,6-tri-o-benzyl-d-glucal,tri-o-benzyl-d-glucal,2r,3s,4r-3,4-bis benzyloxy-2-benzyloxy methyl-3,4-dihydro-2h-pyran,pubchem10548,1,5-anhydro-3,4,6-tri-o-benzyl-2-deoxy-d-arabinohex-1-enitol,1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol 3,4,6-tribenzyl ether PubChem CID: 11742644 IUPAC Name: (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran SMILES: C1=CC=C(C=C1)COCC2C(C(C=CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
| PubChem CID | 11742644 |
|---|---|
| CAS | 55628-54-1 |
| Molecular Weight (g/mol) | 416.517 |
| MDL Number | MFCD00061640 |
| SMILES | C1=CC=C(C=C1)COCC2C(C(C=CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4 |
| Synonym | 3,4,6-tri-o-benzyl-d-glucal,tri-o-benzyl-d-glucal,2r,3s,4r-3,4-bis benzyloxy-2-benzyloxy methyl-3,4-dihydro-2h-pyran,pubchem10548,1,5-anhydro-3,4,6-tri-o-benzyl-2-deoxy-d-arabinohex-1-enitol,1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol 3,4,6-tribenzyl ether |
| IUPAC Name | (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran |
| InChI Key | MXYLLYBWXIUMIT-PFBJBMPXSA-N |
| Molecular Formula | C27H28O4 |
Sodium hippurate, 96%
CAS: 532-94-5 Molecular Formula: C9H8NNaO3 Molecular Weight (g/mol): 201.157 MDL Number: MFCD00002693 InChI Key: ZBCAZEFVTIBZJS-UHFFFAOYSA-M Synonym: sodium hippurate,hippuric acid sodium salt,sodium 2-benzamidoacetate,n-benzoylglycine sodium salt,glycine, n-benzoyl-, monosodium salt,ccris 5812,hippuric acid, monosodium salt,glycine, n-benzoyl-, sodium salt 1:1,hippurate sodium,benzoylaminoacetic acid sodium salt PubChem CID: 516953 IUPAC Name: sodium;2-benzamidoacetate SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+]
| PubChem CID | 516953 |
|---|---|
| CAS | 532-94-5 |
| Molecular Weight (g/mol) | 201.157 |
| MDL Number | MFCD00002693 |
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+] |
| Synonym | sodium hippurate,hippuric acid sodium salt,sodium 2-benzamidoacetate,n-benzoylglycine sodium salt,glycine, n-benzoyl-, monosodium salt,ccris 5812,hippuric acid, monosodium salt,glycine, n-benzoyl-, sodium salt 1:1,hippurate sodium,benzoylaminoacetic acid sodium salt |
| IUPAC Name | sodium;2-benzamidoacetate |
| InChI Key | ZBCAZEFVTIBZJS-UHFFFAOYSA-M |
| Molecular Formula | C9H8NNaO3 |
p-Toluenesulfonyl isocyanate, 96%, AcroSeal™
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-methyl-N-(oxomethylidene)benzenesulfonamide 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-methyl-N-(oxomethylidene)benzenesulfonamide |
| InChI Key | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3S |
Fluoxetine hydrochloride, 99%
CAS: 56296-78-7 Molecular Formula: C17H19ClF3NO Molecular Weight (g/mol): 345.79 MDL Number: MFCD00214288 InChI Key: GIYXAJPCNFJEHY-UHFFFAOYSA-N Synonym: fluoxetine hydrochloride,prozac,fluoxetine hcl,sarafem,flunirin,fluoxeren,adofen,fluctin,lovan PubChem CID: 62857 IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
| PubChem CID | 62857 |
|---|---|
| CAS | 56296-78-7 |
| Molecular Weight (g/mol) | 345.79 |
| MDL Number | MFCD00214288 |
| SMILES | CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl |
| Synonym | fluoxetine hydrochloride,prozac,fluoxetine hcl,sarafem,flunirin,fluoxeren,adofen,fluctin,lovan |
| IUPAC Name | N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride |
| InChI Key | GIYXAJPCNFJEHY-UHFFFAOYSA-N |
| Molecular Formula | C17H19ClF3NO |
Triphenylphosphine 95.0+%, TCI America™
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 |
p-Anisic acid, 98%
CAS: 100-09-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Synonym: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O
| PubChem CID | 7478 |
|---|---|
| CAS | 100-09-4 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:40813 |
| MDL Number | MFCD00002542 |
| SMILES | COC1=CC=C(C=C1)C(O)=O |
| Synonym | p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer |
| IUPAC Name | 4-methoxybenzoic acid |
| InChI Key | ZEYHEAKUIGZSGI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Chlorobenzoic acid, 99%
CAS: 74-11-3 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00002531 InChI Key: XRHGYUZYPHTUJZ-UHFFFAOYSA-N Synonym: p-chlorobenzoic acid,benzoic acid, 4-chloro,p-chlorbenzoic acid,chlorodracylic acid,benzoic acid, p-chloro,para-chlorobenzoic acid,4-chloro-benzoic acid,p-carboxychlorobenzene,acido p-clorobenzoico,acido p-clorobenzoico italian PubChem CID: 6318 ChEBI: CHEBI:30747 IUPAC Name: 4-chlorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Cl
| PubChem CID | 6318 |
|---|---|
| CAS | 74-11-3 |
| Molecular Weight (g/mol) | 156.57 |
| ChEBI | CHEBI:30747 |
| MDL Number | MFCD00002531 |
| SMILES | C1=CC(=CC=C1C(=O)O)Cl |
| Synonym | p-chlorobenzoic acid,benzoic acid, 4-chloro,p-chlorbenzoic acid,chlorodracylic acid,benzoic acid, p-chloro,para-chlorobenzoic acid,4-chloro-benzoic acid,p-carboxychlorobenzene,acido p-clorobenzoico,acido p-clorobenzoico italian |
| IUPAC Name | 4-chlorobenzoic acid |
| InChI Key | XRHGYUZYPHTUJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
Benzylamine, 99%, pure
CAS: 100-46-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00008106 InChI Key: WGQKYBSKWIADBV-UHFFFAOYSA-N Synonym: benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine PubChem CID: 7504 ChEBI: CHEBI:40538 IUPAC Name: phenylmethanamine SMILES: C1=CC=C(C=C1)CN
| PubChem CID | 7504 |
|---|---|
| CAS | 100-46-9 |
| Molecular Weight (g/mol) | 107.15 |
| ChEBI | CHEBI:40538 |
| MDL Number | MFCD00008106 |
| SMILES | C1=CC=C(C=C1)CN |
| Synonym | benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine |
| IUPAC Name | phenylmethanamine |
| InChI Key | WGQKYBSKWIADBV-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
4-Chlorobenzyl alcohol, 99%
CAS: 873-76-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 MDL Number: MFCD00004652 InChI Key: PTHGDVCPCZKZKR-UHFFFAOYSA-N Synonym: 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 PubChem CID: 13397 IUPAC Name: (4-chlorophenyl)methanol SMILES: C1=CC(=CC=C1CO)Cl
| PubChem CID | 13397 |
|---|---|
| CAS | 873-76-7 |
| Molecular Weight (g/mol) | 142.58 |
| MDL Number | MFCD00004652 |
| SMILES | C1=CC(=CC=C1CO)Cl |
| Synonym | 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 |
| IUPAC Name | (4-chlorophenyl)methanol |
| InChI Key | PTHGDVCPCZKZKR-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
4'-Ethoxyacetanilide, 97%, Thermo Scientific Chemicals
CAS: 62-44-2 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00009094 InChI Key: CPJSUEIXXCENMM-UHFFFAOYSA-N Synonym: phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin PubChem CID: 4754 ChEBI: CHEBI:8050 IUPAC Name: N-(4-ethoxyphenyl)acetamide SMILES: CCOC1=CC=C(C=C1)NC(=O)C
| PubChem CID | 4754 |
|---|---|
| CAS | 62-44-2 |
| Molecular Weight (g/mol) | 179.219 |
| ChEBI | CHEBI:8050 |
| MDL Number | MFCD00009094 |
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C |
| Synonym | phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin |
| IUPAC Name | N-(4-ethoxyphenyl)acetamide |
| InChI Key | CPJSUEIXXCENMM-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
Diallyl phthalate, 97%
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 |
4,4'-Methylenebis(N,N-dimethylaniline), 98%
CAS: 101-61-1 Molecular Formula: C17H22N2 Molecular Weight (g/mol): 254.37 MDL Number: MFCD00008317 InChI Key: JNRLEMMIVRBKJE-UHFFFAOYSA-N Synonym: 4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone PubChem CID: 7567 ChEBI: CHEBI:34370 IUPAC Name: 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline SMILES: CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
| PubChem CID | 7567 |
|---|---|
| CAS | 101-61-1 |
| Molecular Weight (g/mol) | 254.37 |
| ChEBI | CHEBI:34370 |
| MDL Number | MFCD00008317 |
| SMILES | CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C |
| Synonym | 4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone |
| IUPAC Name | 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline |
| InChI Key | JNRLEMMIVRBKJE-UHFFFAOYSA-N |
| Molecular Formula | C17H22N2 |
4,4'-Dibromobiphenyl, 99%
CAS: 92-86-4 Molecular Formula: C12H8Br2 Molecular Weight (g/mol): 312.00 MDL Number: MFCD00000101 InChI Key: HQJQYILBCQPYBI-UHFFFAOYSA-N Synonym: 4,4'-dibromobiphenyl,1,1'-biphenyl, 4,4'-dibromo,p,p'-dibromobiphenyl,4,4'-dibromodiphenyl,1-bromo-4-4-bromophenyl benzene,4,4'-dibromo-biphenyl,unii-pou26v2xt2,4',4-dibromobiphenyl,biphenyl, 4,4'-dibromo,pou26v2xt2 PubChem CID: 7110 IUPAC Name: 1-bromo-4-(4-bromophenyl)benzene SMILES: BrC1=CC=C(C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 7110 |
|---|---|
| CAS | 92-86-4 |
| Molecular Weight (g/mol) | 312.00 |
| MDL Number | MFCD00000101 |
| SMILES | BrC1=CC=C(C=C1)C1=CC=C(Br)C=C1 |
| Synonym | 4,4'-dibromobiphenyl,1,1'-biphenyl, 4,4'-dibromo,p,p'-dibromobiphenyl,4,4'-dibromodiphenyl,1-bromo-4-4-bromophenyl benzene,4,4'-dibromo-biphenyl,unii-pou26v2xt2,4',4-dibromobiphenyl,biphenyl, 4,4'-dibromo,pou26v2xt2 |
| IUPAC Name | 1-bromo-4-(4-bromophenyl)benzene |
| InChI Key | HQJQYILBCQPYBI-UHFFFAOYSA-N |
| Molecular Formula | C12H8Br2 |
Triphenylphosphine Sulfide, 99+%
CAS: 3878-45-3 Molecular Formula: C18H15PS Molecular Weight (g/mol): 294.35 MDL Number: MFCD00004917 InChI Key: VYNGFCUGSYEOOZ-UHFFFAOYSA-N Synonym: triphenylphosphine sulfide,phosphine sulfide, triphenyl,triphenylphosphine sulphide,triphenylphosphine monosulfide,triphenylphosphane sulfide,triphenylphosphino-1-thione,triphenylthioxophosphorane,triphenylphosphorus sulfide,wln: spr&r&r,triphenyl-,e5-phosphanethione PubChem CID: 19758 IUPAC Name: triphenyl(sulfanylidene)-$l^{5}-phosphane SMILES: S=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 19758 |
|---|---|
| CAS | 3878-45-3 |
| Molecular Weight (g/mol) | 294.35 |
| MDL Number | MFCD00004917 |
| SMILES | S=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylphosphine sulfide,phosphine sulfide, triphenyl,triphenylphosphine sulphide,triphenylphosphine monosulfide,triphenylphosphane sulfide,triphenylphosphino-1-thione,triphenylthioxophosphorane,triphenylphosphorus sulfide,wln: spr&r&r,triphenyl-,e5-phosphanethione |
| IUPAC Name | triphenyl(sulfanylidene)-$l^{5}-phosphane |
| InChI Key | VYNGFCUGSYEOOZ-UHFFFAOYSA-N |
| Molecular Formula | C18H15PS |
1,2-Dibromobenzene, 98%
CAS: 583-53-9 Molecular Formula: C6H4Br2 Molecular Weight (g/mol): 235.906 MDL Number: MFCD00000057 InChI Key: WQONPSCCEXUXTQ-UHFFFAOYSA-N Synonym: o-dibromobenzene,dibromobenzene,benzene, 1,2-dibromo,ortho-dibromobenzene,benzene, o-dibromo,benzene, dibromo,unii-52k9w7u6eh,dibromobenzene mixed isomers,1,2 dibromobenzene,1,6-dibromobenzene PubChem CID: 11414 ChEBI: CHEBI:37152 IUPAC Name: 1,2-dibromobenzene SMILES: C1=CC=C(C(=C1)Br)Br
| PubChem CID | 11414 |
|---|---|
| CAS | 583-53-9 |
| Molecular Weight (g/mol) | 235.906 |
| ChEBI | CHEBI:37152 |
| MDL Number | MFCD00000057 |
| SMILES | C1=CC=C(C(=C1)Br)Br |
| Synonym | o-dibromobenzene,dibromobenzene,benzene, 1,2-dibromo,ortho-dibromobenzene,benzene, o-dibromo,benzene, dibromo,unii-52k9w7u6eh,dibromobenzene mixed isomers,1,2 dibromobenzene,1,6-dibromobenzene |
| IUPAC Name | 1,2-dibromobenzene |
| InChI Key | WQONPSCCEXUXTQ-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2 |