Benzene and substituted derivatives
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Methyl 4-tert-butylbenzoate, 98+%
CAS: 26537-19-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00008835 InChI Key: UPIJOAFHOIWPLT-UHFFFAOYSA-N Synonym: methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester PubChem CID: 97433 IUPAC Name: methyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 97433 |
|---|---|
| CAS | 26537-19-9 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00008835 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC |
| Synonym | methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester |
| IUPAC Name | methyl 4-tert-butylbenzoate |
| InChI Key | UPIJOAFHOIWPLT-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
3,4,5-Trimethoxybenzaldehyde, 98%
CAS: 86-81-7 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00003364 InChI Key: OPHQOIGEOHXOGX-UHFFFAOYSA-N PubChem CID: 6858 IUPAC Name: 3,4,5-trimethoxybenzaldehyde SMILES: COC1=CC(=CC(=C1OC)OC)C=O
| PubChem CID | 6858 |
|---|---|
| CAS | 86-81-7 |
| Molecular Weight (g/mol) | 196.202 |
| MDL Number | MFCD00003364 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=O |
| IUPAC Name | 3,4,5-trimethoxybenzaldehyde |
| InChI Key | OPHQOIGEOHXOGX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
2-(Bromomethyl)benzeneboronic acid pinacol ester, 98%
CAS: 377780-72-8 Molecular Formula: C13H18BBrO2 Molecular Weight (g/mol): 296.999 MDL Number: MFCD01632210 InChI Key: ROIXSNLOYHDYBP-UHFFFAOYSA-N Synonym: 2-2-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-bromomethylphenylboronic acid pinacol ester,2-bromomethyl benzeneboronic acid, pinacol ester,2-bromomethylphenylboronic acid, pinacol ester,2-bromomethyl benzeneboronic acid pinacol ester,2-bromomethylphenyl boronic acid, pinacol ester,amtb373,2-bromomethyl phenylboronic pinacol ester,2-bromoethylphenylboronic acid pinacol ester PubChem CID: 3834834 IUPAC Name: 2-[2-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CBr
| PubChem CID | 3834834 |
|---|---|
| CAS | 377780-72-8 |
| Molecular Weight (g/mol) | 296.999 |
| MDL Number | MFCD01632210 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CBr |
| Synonym | 2-2-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-bromomethylphenylboronic acid pinacol ester,2-bromomethyl benzeneboronic acid, pinacol ester,2-bromomethylphenylboronic acid, pinacol ester,2-bromomethyl benzeneboronic acid pinacol ester,2-bromomethylphenyl boronic acid, pinacol ester,amtb373,2-bromomethyl phenylboronic pinacol ester,2-bromoethylphenylboronic acid pinacol ester |
| IUPAC Name | 2-[2-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | ROIXSNLOYHDYBP-UHFFFAOYSA-N |
| Molecular Formula | C13H18BBrO2 |
Dibenzylamine, 98%
CAS: 103-49-1 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.28 MDL Number: MFCD00004770 InChI Key: BWLUMTFWVZZZND-UHFFFAOYSA-N Synonym: dibenzylamine,benzenemethanamine, n-phenylmethyl,n-benzylbenzylamine,bibenzylamine,dibenzyl-amine,dibenzyl amine,bisbenzylamine,n,n-dibenzylamine,n-benzylaminomethyl benzene,unii-3g0yfx01c6 PubChem CID: 7656 SMILES: C(NCC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7656 |
|---|---|
| CAS | 103-49-1 |
| Molecular Weight (g/mol) | 197.28 |
| MDL Number | MFCD00004770 |
| SMILES | C(NCC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | dibenzylamine,benzenemethanamine, n-phenylmethyl,n-benzylbenzylamine,bibenzylamine,dibenzyl-amine,dibenzyl amine,bisbenzylamine,n,n-dibenzylamine,n-benzylaminomethyl benzene,unii-3g0yfx01c6 |
| InChI Key | BWLUMTFWVZZZND-UHFFFAOYSA-N |
| Molecular Formula | C14H15N |
Phenyl p-tolyl sulfone, 98+%
CAS: 640-57-3 Molecular Formula: C13H12O2S Molecular Weight (g/mol): 232.297 MDL Number: MFCD00025038 InChI Key: YBRXHRWLEFCFEG-UHFFFAOYSA-N Synonym: phenyl p-tolyl sulfone,sulfone, phenyl p-tolyl,4-methylphenyl phenyl sulfone,benzene, 1-methyl-4-phenylsulfonyl,1-methyl-4-phenylsulfonyl benzene,4-methyldiphenylsulfone,p-tolyl phenyl sulfone,p-phenylsulphonyl toluene,1-benzenesulfonyl-4-methylbenzene,1-benzenesulfonyl-4-methyl-benzene PubChem CID: 69497 IUPAC Name: 1-(benzenesulfonyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
| PubChem CID | 69497 |
|---|---|
| CAS | 640-57-3 |
| Molecular Weight (g/mol) | 232.297 |
| MDL Number | MFCD00025038 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 |
| Synonym | phenyl p-tolyl sulfone,sulfone, phenyl p-tolyl,4-methylphenyl phenyl sulfone,benzene, 1-methyl-4-phenylsulfonyl,1-methyl-4-phenylsulfonyl benzene,4-methyldiphenylsulfone,p-tolyl phenyl sulfone,p-phenylsulphonyl toluene,1-benzenesulfonyl-4-methylbenzene,1-benzenesulfonyl-4-methyl-benzene |
| IUPAC Name | 1-(benzenesulfonyl)-4-methylbenzene |
| InChI Key | YBRXHRWLEFCFEG-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2S |
3,5-Bis(trifluoromethyl)benzoyl chloride, 97%
CAS: 785-56-8 Molecular Formula: C9H3ClF6O Molecular Weight (g/mol): 276.57 MDL Number: MFCD00000387 InChI Key: WAKMMQSMEDJRRI-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzoyl chloride,3,5-bis-trifluoromethylbenzoyl chloride,3,5-di trifluoromethyl benzoyl chloride,3,5-bis trifluoromethyl benzoylchloride,benzoyl chloride, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl benzoyl chloride,benzoylchloride, 3,5-bis trifluoromethyl,fxffr cvg exfff,3,5-bis trifluoromethyl benzoychloride PubChem CID: 101856 IUPAC Name: 3,5-bis(trifluoromethyl)benzoyl chloride SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl
| PubChem CID | 101856 |
|---|---|
| CAS | 785-56-8 |
| Molecular Weight (g/mol) | 276.57 |
| MDL Number | MFCD00000387 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl |
| Synonym | 3,5-bis trifluoromethyl benzoyl chloride,3,5-bis-trifluoromethylbenzoyl chloride,3,5-di trifluoromethyl benzoyl chloride,3,5-bis trifluoromethyl benzoylchloride,benzoyl chloride, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl benzoyl chloride,benzoylchloride, 3,5-bis trifluoromethyl,fxffr cvg exfff,3,5-bis trifluoromethyl benzoychloride |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzoyl chloride |
| InChI Key | WAKMMQSMEDJRRI-UHFFFAOYSA-N |
| Molecular Formula | C9H3ClF6O |
Dioctyl Phthalate, 98%, Spectrum™ Chemical
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CAS: 117-81-7
| CAS | 117-81-7 |
|---|
4-Fluoro-2-(trifluoromethyl)phenylboronic acid, 97%
CAS: 182344-16-7 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.92 MDL Number: MFCD08062379 InChI Key: SWUPLEAGZOKLNX-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n PubChem CID: 12109469 IUPAC Name: [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(C=C(F)C=C1)C(F)(F)F
| PubChem CID | 12109469 |
|---|---|
| CAS | 182344-16-7 |
| Molecular Weight (g/mol) | 207.92 |
| MDL Number | MFCD08062379 |
| SMILES | OB(O)C1=C(C=C(F)C=C1)C(F)(F)F |
| Synonym | 4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n |
| IUPAC Name | [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | SWUPLEAGZOKLNX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BF4O2 |
N-[4-(2-Furyl)benzyl]-N-methylamine, ≥95%, Thermo Scientific™
CAS: 859850-67-2 Molecular Formula: C12H13NO Molecular Weight (g/mol): 187.24 MDL Number: MFCD08060507 InChI Key: QJHXIMBULPYCDO-UHFFFAOYSA-N Synonym: n-4-2-furyl benzyl-n-methylamine,4-furan-2-yl phenyl methyl methyl amine,benzenemethanamine,4-2-furanyl-n-methyl,1-4-furan-2-yl phenyl-n-methylmethanamine,4-2-furyl phenyl methyl methylamine PubChem CID: 7537512 IUPAC Name: {[4-(furan-2-yl)phenyl]methyl}(methyl)amine SMILES: CNCC1=CC=C(C=C1)C1=CC=CO1
| PubChem CID | 7537512 |
|---|---|
| CAS | 859850-67-2 |
| Molecular Weight (g/mol) | 187.24 |
| MDL Number | MFCD08060507 |
| SMILES | CNCC1=CC=C(C=C1)C1=CC=CO1 |
| Synonym | n-4-2-furyl benzyl-n-methylamine,4-furan-2-yl phenyl methyl methyl amine,benzenemethanamine,4-2-furanyl-n-methyl,1-4-furan-2-yl phenyl-n-methylmethanamine,4-2-furyl phenyl methyl methylamine |
| IUPAC Name | {[4-(furan-2-yl)phenyl]methyl}(methyl)amine |
| InChI Key | QJHXIMBULPYCDO-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO |
4-Bromo-4'-hydroxybiphenyl, 98%
CAS: 29558-77-8 Molecular Formula: C12H9BrO Molecular Weight (g/mol): 249.107 MDL Number: MFCD00059076 InChI Key: ARUBXNBYMCVENE-UHFFFAOYSA-N Synonym: 4-bromo-4'-hydroxybiphenyl,4'-bromo-1,1'-biphenyl-4-ol,4-4-bromophenyl phenol,4'-bromobiphenyl-4-ol,4-hydroxy-4'-bromobiphenyl,1,1'-biphenyl-4-ol, 4'-bromo,4-bromo-4-hydroxybiphenyl,pubchem23025 PubChem CID: 95093 IUPAC Name: 4-(4-bromophenyl)phenol SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)O
| PubChem CID | 95093 |
|---|---|
| CAS | 29558-77-8 |
| Molecular Weight (g/mol) | 249.107 |
| MDL Number | MFCD00059076 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)Br)O |
| Synonym | 4-bromo-4'-hydroxybiphenyl,4'-bromo-1,1'-biphenyl-4-ol,4-4-bromophenyl phenol,4'-bromobiphenyl-4-ol,4-hydroxy-4'-bromobiphenyl,1,1'-biphenyl-4-ol, 4'-bromo,4-bromo-4-hydroxybiphenyl,pubchem23025 |
| IUPAC Name | 4-(4-bromophenyl)phenol |
| InChI Key | ARUBXNBYMCVENE-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrO |
m-Acetotoluidide, Thermo Scientific™
CAS: 537-92-8 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00014962 InChI Key: ALMHSXDYCFOZQD-UHFFFAOYSA-N Synonym: 3'-methylacetanilide,n-acetyl-m-toluidine,m-acetotoluidide,3-methylacetanilide,n-3-methylphenyl acetamide,m-acetotoluide,3-acetamidotoluene,n-m-tolylacetamide,m-methylacetanilide,aceto-m-aminotoluene PubChem CID: 10843 IUPAC Name: N-(3-methylphenyl)acetamide SMILES: CC1=CC(=CC=C1)NC(=O)C
| PubChem CID | 10843 |
|---|---|
| CAS | 537-92-8 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00014962 |
| SMILES | CC1=CC(=CC=C1)NC(=O)C |
| Synonym | 3'-methylacetanilide,n-acetyl-m-toluidine,m-acetotoluidide,3-methylacetanilide,n-3-methylphenyl acetamide,m-acetotoluide,3-acetamidotoluene,n-m-tolylacetamide,m-methylacetanilide,aceto-m-aminotoluene |
| IUPAC Name | N-(3-methylphenyl)acetamide |
| InChI Key | ALMHSXDYCFOZQD-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
N-Phenylmethanesulfonamide, 98%, Thermo Scientific™
CAS: 1197-22-4 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.21 MDL Number: MFCD00043782 InChI Key: LBTPIFQNEKOAIM-UHFFFAOYSA-N Synonym: methanesulfonamide, n-phenyl,methanesulfonanilide,methanesulfanilide,mesylaniline,n-mesylaniline,n-methylsulphonylaniline,n-phenyl-methanesulfonamide,methylsulfonyl phenylamine,mesylanilide,methylsulfonyl aniline PubChem CID: 70970 IUPAC Name: N-phenylmethanesulfonamide SMILES: CS(=O)(=O)NC1=CC=CC=C1
| PubChem CID | 70970 |
|---|---|
| CAS | 1197-22-4 |
| Molecular Weight (g/mol) | 171.21 |
| MDL Number | MFCD00043782 |
| SMILES | CS(=O)(=O)NC1=CC=CC=C1 |
| Synonym | methanesulfonamide, n-phenyl,methanesulfonanilide,methanesulfanilide,mesylaniline,n-mesylaniline,n-methylsulphonylaniline,n-phenyl-methanesulfonamide,methylsulfonyl phenylamine,mesylanilide,methylsulfonyl aniline |
| IUPAC Name | N-phenylmethanesulfonamide |
| InChI Key | LBTPIFQNEKOAIM-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2S |
2-Amino-4-fluorobenzoic acid, 98%
CAS: 446-32-2 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00075553 InChI Key: LGPVTNAJFDUWLF-UHFFFAOYSA-N Synonym: 4-fluoroanthranilic acid,2-amino-4-fluoro-benzoic acid,benzoic acid, 2-amino-4-fluoro,2-amino-4-fluoro benzoic acid,2-amino-4-fluorobenzoicacid,fa0,pubchem1323,amino-4-fluorobenzoic acid,acmc-209jz7,2-amino-4fluorobenzoic acid PubChem CID: 2724967 IUPAC Name: 2-amino-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)N)C(=O)O
| PubChem CID | 2724967 |
|---|---|
| CAS | 446-32-2 |
| Molecular Weight (g/mol) | 155.128 |
| MDL Number | MFCD00075553 |
| SMILES | C1=CC(=C(C=C1F)N)C(=O)O |
| Synonym | 4-fluoroanthranilic acid,2-amino-4-fluoro-benzoic acid,benzoic acid, 2-amino-4-fluoro,2-amino-4-fluoro benzoic acid,2-amino-4-fluorobenzoicacid,fa0,pubchem1323,amino-4-fluorobenzoic acid,acmc-209jz7,2-amino-4fluorobenzoic acid |
| IUPAC Name | 2-amino-4-fluorobenzoic acid |
| InChI Key | LGPVTNAJFDUWLF-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
2-Bromo-5-(trifluoromethyl)phenol, 98%
CAS: 402-05-1 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD09261190 InChI Key: INHVNZLKNPJCJD-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl phenol,phenol, 2-bromo-5-trifluoromethyl,acmc-209jbu,phenol,2-bromo-5-trifluoromethyl,3-bromo-5-hydroxybenzotrifluoride,4-bromo-3-hydroxybenzotrifluoride PubChem CID: 21914470 IUPAC Name: 2-bromo-5-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1C(F)(F)F)O)Br
| PubChem CID | 21914470 |
|---|---|
| CAS | 402-05-1 |
| Molecular Weight (g/mol) | 241.007 |
| MDL Number | MFCD09261190 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)O)Br |
| Synonym | 2-bromo-5-trifluoromethyl phenol,phenol, 2-bromo-5-trifluoromethyl,acmc-209jbu,phenol,2-bromo-5-trifluoromethyl,3-bromo-5-hydroxybenzotrifluoride,4-bromo-3-hydroxybenzotrifluoride |
| IUPAC Name | 2-bromo-5-(trifluoromethyl)phenol |
| InChI Key | INHVNZLKNPJCJD-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |
Ethyl pentafluorobenzoate, 98%
CAS: 4522-93-4 Molecular Formula: C9H5F5O2 Molecular Weight (g/mol): 240.13 MDL Number: MFCD00039211 InChI Key: DFUDMSIRGGTHGI-UHFFFAOYSA-N Synonym: ethyl pentafluorobenzoate,ethyl perfluorobenzoate,pentafluorobenzoic acid ethyl ester,2,3,4,5,6-pentafluoro-benzoic acid ethyl ester,benzoic acid, pentafluoro-, ethyl ester,ethylpentafluorobenzoate,acmc-1ajj1,rarechem al bi 0017,perfluorobenzoic acid ethyl ester PubChem CID: 78283 IUPAC Name: ethyl 2,3,4,5,6-pentafluorobenzoate SMILES: CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 78283 |
|---|---|
| CAS | 4522-93-4 |
| Molecular Weight (g/mol) | 240.13 |
| MDL Number | MFCD00039211 |
| SMILES | CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | ethyl pentafluorobenzoate,ethyl perfluorobenzoate,pentafluorobenzoic acid ethyl ester,2,3,4,5,6-pentafluoro-benzoic acid ethyl ester,benzoic acid, pentafluoro-, ethyl ester,ethylpentafluorobenzoate,acmc-1ajj1,rarechem al bi 0017,perfluorobenzoic acid ethyl ester |
| IUPAC Name | ethyl 2,3,4,5,6-pentafluorobenzoate |
| InChI Key | DFUDMSIRGGTHGI-UHFFFAOYSA-N |
| Molecular Formula | C9H5F5O2 |