Benzene and substituted derivatives
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LiChropur™ N-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, For chiral derivatization, ≥99.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00042049 Synonym: FDAA; Marfey′s reagent
| MDL Number | MFCD00042049 |
|---|---|
| Synonym | FDAA; Marfey′s reagent |
4-(4-Iodobenzyl)morpholine, ≥97%, Thermo Scientific™
CAS: 299159-27-6 Molecular Formula: C11H14INO Molecular Weight (g/mol): 303.143 MDL Number: MFCD04974051 InChI Key: IYDFKIKPNVVXQU-UHFFFAOYSA-N Synonym: 4-4-iodobenzyl morpholine,4-4-iodophenyl methyl morpholine,4-4-iodo-benzyl-morpholine,4-iodobenzyl morpholine,4-morpholinomethyliodobenzene PubChem CID: 2795500 IUPAC Name: 4-[(4-iodophenyl)methyl]morpholine SMILES: C1COCCN1CC2=CC=C(C=C2)I
| PubChem CID | 2795500 |
|---|---|
| CAS | 299159-27-6 |
| Molecular Weight (g/mol) | 303.143 |
| MDL Number | MFCD04974051 |
| SMILES | C1COCCN1CC2=CC=C(C=C2)I |
| Synonym | 4-4-iodobenzyl morpholine,4-4-iodophenyl methyl morpholine,4-4-iodo-benzyl-morpholine,4-iodobenzyl morpholine,4-morpholinomethyliodobenzene |
| IUPAC Name | 4-[(4-iodophenyl)methyl]morpholine |
| InChI Key | IYDFKIKPNVVXQU-UHFFFAOYSA-N |
| Molecular Formula | C11H14INO |
2,6-Dihydroxybenzoic acid, 98%
CAS: 303-07-1 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002462 InChI Key: AKEUNCKRJATALU-UHFFFAOYSA-N Synonym: gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid PubChem CID: 9338 ChEBI: CHEBI:68465 IUPAC Name: 2,6-dihydroxybenzoic acid SMILES: OC(=O)C1=C(O)C=CC=C1O
| PubChem CID | 9338 |
|---|---|
| CAS | 303-07-1 |
| Molecular Weight (g/mol) | 154.12 |
| ChEBI | CHEBI:68465 |
| MDL Number | MFCD00002462 |
| SMILES | OC(=O)C1=C(O)C=CC=C1O |
| Synonym | gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid |
| IUPAC Name | 2,6-dihydroxybenzoic acid |
| InChI Key | AKEUNCKRJATALU-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
Methyl 3-aminosalicylate, 97%
CAS: 35748-34-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD09842614 InChI Key: OMWQHVRUXLRZRC-UHFFFAOYSA-N Synonym: 3-amino-2-hydroxybenzoic acid methyl ester,benzoic acid, 3-amino-2-hydroxy-, methyl ester,methyl 3-aminosalicylate,methyl3-amino-2-hydroxybenzoate,2-amino-6-methoxycarbonyl phenol,2-hydroxy-3-methoxycarbonyl aniline,methyl-m-aminosalicylat,acmc-209wuz,methyl-3-aminosalicylate,aminohydroxy-benzoic methyl ester PubChem CID: 12782444 IUPAC Name: methyl 3-amino-2-hydroxybenzoate SMILES: COC(=O)C1=C(O)C(N)=CC=C1
| PubChem CID | 12782444 |
|---|---|
| CAS | 35748-34-6 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD09842614 |
| SMILES | COC(=O)C1=C(O)C(N)=CC=C1 |
| Synonym | 3-amino-2-hydroxybenzoic acid methyl ester,benzoic acid, 3-amino-2-hydroxy-, methyl ester,methyl 3-aminosalicylate,methyl3-amino-2-hydroxybenzoate,2-amino-6-methoxycarbonyl phenol,2-hydroxy-3-methoxycarbonyl aniline,methyl-m-aminosalicylat,acmc-209wuz,methyl-3-aminosalicylate,aminohydroxy-benzoic methyl ester |
| IUPAC Name | methyl 3-amino-2-hydroxybenzoate |
| InChI Key | OMWQHVRUXLRZRC-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Bis[(2-diphenylphosphino)phenyl] ether, 98%
CAS: 166330-10-5 Molecular Formula: C36H28OP2 Molecular Weight (g/mol): 538.57 MDL Number: MFCD00233863 InChI Key: RYXZOQOZERSHHQ-UHFFFAOYSA-N Synonym: bis 2-diphenylphosphinophenyl ether,dpephos,oxydi-2,1-phenylene bis diphenylphosphine,oxybis 2,1-phenylene bis diphenylphosphine,bis 2-diphenylphosphino phenyl ether,2,2'-bis diphenylphosphino diphenyl ether,2-2-diphenylphosphanyl phenoxy phenyl diphenylphosphane PubChem CID: 4285986 IUPAC Name: [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane SMILES: O(C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 4285986 |
|---|---|
| CAS | 166330-10-5 |
| Molecular Weight (g/mol) | 538.57 |
| MDL Number | MFCD00233863 |
| SMILES | O(C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | bis 2-diphenylphosphinophenyl ether,dpephos,oxydi-2,1-phenylene bis diphenylphosphine,oxybis 2,1-phenylene bis diphenylphosphine,bis 2-diphenylphosphino phenyl ether,2,2'-bis diphenylphosphino diphenyl ether,2-2-diphenylphosphanyl phenoxy phenyl diphenylphosphane |
| IUPAC Name | [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane |
| InChI Key | RYXZOQOZERSHHQ-UHFFFAOYSA-N |
| Molecular Formula | C36H28OP2 |
Bromothymol blue sodium salt, MP Biomedicals™
CAS: 34722-90-2 Molecular Formula: C27H27Br2NaO5S Molecular Weight (g/mol): 646.37 MDL Number: MFCD00077263,MFCD00077263,MFCD00077263 InChI Key: NMKFVGALBGZKGW-FKWCIMQXSA-M Synonym: cfn0fbc3yh,unii-cfn0fbc3yh,sodium bromothymol blue,bromothymol blue sodium salt,3',3-dibromothymolsulfonephthalein sodium salt,bromthymol blue sodium,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, monosodium salt,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, sodium salt 1:1,bromthymol blue sodium salt,bromothymol blue, sodium salt PubChem CID: 102183223 IUPAC Name: sodium 2-{[(1Z)-3-bromo-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene][3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]methyl}benzene-1-sulfonate SMILES: [Na+].CC(C)C1=CC(\C(C2=CC=CC=C2S([O-])(=O)=O)=C2/C=C(C(C)C)C(=O)C(Br)=C2C)=C(C)C(Br)=C1O
| PubChem CID | 102183223 |
|---|---|
| CAS | 34722-90-2 |
| Molecular Weight (g/mol) | 646.37 |
| MDL Number | MFCD00077263,MFCD00077263,MFCD00077263 |
| SMILES | [Na+].CC(C)C1=CC(\C(C2=CC=CC=C2S([O-])(=O)=O)=C2/C=C(C(C)C)C(=O)C(Br)=C2C)=C(C)C(Br)=C1O |
| Synonym | cfn0fbc3yh,unii-cfn0fbc3yh,sodium bromothymol blue,bromothymol blue sodium salt,3',3-dibromothymolsulfonephthalein sodium salt,bromthymol blue sodium,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, monosodium salt,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-bromo-3-methyl-6-1-methylethyl-, sodium salt 1:1,bromthymol blue sodium salt,bromothymol blue, sodium salt |
| IUPAC Name | sodium 2-{[(1Z)-3-bromo-2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene][3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]methyl}benzene-1-sulfonate |
| InChI Key | NMKFVGALBGZKGW-FKWCIMQXSA-M |
| Molecular Formula | C27H27Br2NaO5S |
3-Carboxy-5-nitrobenzeneboronic acid, 97%
CAS: 101084-81-5 Molecular Formula: C7H6BNO6 Molecular Weight (g/mol): 210.936 MDL Number: MFCD00757433 InChI Key: WNIFCLWDGNHGMX-UHFFFAOYSA-N Synonym: 3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139 PubChem CID: 2773315 IUPAC Name: 3-borono-5-nitrobenzoic acid SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O
| PubChem CID | 2773315 |
|---|---|
| CAS | 101084-81-5 |
| Molecular Weight (g/mol) | 210.936 |
| MDL Number | MFCD00757433 |
| SMILES | B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O |
| Synonym | 3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139 |
| IUPAC Name | 3-borono-5-nitrobenzoic acid |
| InChI Key | WNIFCLWDGNHGMX-UHFFFAOYSA-N |
| Molecular Formula | C7H6BNO6 |
4-Ethoxybenzoic acid, 98+%
CAS: 619-86-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002545 InChI Key: SHSGDXCJYVZFTP-UHFFFAOYSA-N Synonym: p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid PubChem CID: 12093 IUPAC Name: 4-ethoxybenzoic acid SMILES: CCOC1=CC=C(C=C1)C(=O)O
| PubChem CID | 12093 |
|---|---|
| CAS | 619-86-3 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002545 |
| SMILES | CCOC1=CC=C(C=C1)C(=O)O |
| Synonym | p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid |
| IUPAC Name | 4-ethoxybenzoic acid |
| InChI Key | SHSGDXCJYVZFTP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
p-Toluenesulfonic acid, sodium salt
CAS: 657-84-1 Molecular Formula: C7H7NaO3S Molecular Weight (g/mol): 194.18 MDL Number: MFCD00798566,MFCD00064388 InChI Key: KVCGISUBCHHTDD-UHFFFAOYSA-M Synonym: sodium p-toluenesulfonate,sodium 4-methylbenzenesulfonate,sodium tosylate,p-toluenesulfonic acid sodium salt,sodium toluenesulfonate,sodium toluenesulphonate,tosylate, sodium,naxonate hydrotrope,cyclophil sts 70,eltesol st 34 PubChem CID: 3720192 IUPAC Name: sodium;4-methylbenzenesulfonate SMILES: [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 3720192 |
|---|---|
| CAS | 657-84-1 |
| Molecular Weight (g/mol) | 194.18 |
| MDL Number | MFCD00798566,MFCD00064388 |
| SMILES | [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O |
| Synonym | sodium p-toluenesulfonate,sodium 4-methylbenzenesulfonate,sodium tosylate,p-toluenesulfonic acid sodium salt,sodium toluenesulfonate,sodium toluenesulphonate,tosylate, sodium,naxonate hydrotrope,cyclophil sts 70,eltesol st 34 |
| IUPAC Name | sodium;4-methylbenzenesulfonate |
| InChI Key | KVCGISUBCHHTDD-UHFFFAOYSA-M |
| Molecular Formula | C7H7NaO3S |
4-Aminophthalic acid, 98%
CAS: 5434-21-9 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00013985 InChI Key: OXSANYRLJHSQEP-UHFFFAOYSA-N Synonym: 4-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-amino,4-amino-1,2-benzenedicarboxylic acid,4-amino phthalic acid,contains 3-aminophthalic acid,pubchem16853,acmc-1arqu,4-aminophthalic acid,ksc270i4n,ghl.pd_mitscher_leg0.1208 PubChem CID: 72912 IUPAC Name: 4-aminophthalic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)C(=O)O
| PubChem CID | 72912 |
|---|---|
| CAS | 5434-21-9 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00013985 |
| SMILES | C1=CC(=C(C=C1N)C(=O)O)C(=O)O |
| Synonym | 4-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-amino,4-amino-1,2-benzenedicarboxylic acid,4-amino phthalic acid,contains 3-aminophthalic acid,pubchem16853,acmc-1arqu,4-aminophthalic acid,ksc270i4n,ghl.pd_mitscher_leg0.1208 |
| IUPAC Name | 4-aminophthalic acid |
| InChI Key | OXSANYRLJHSQEP-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
Selectophore™ 2-Nitrophenyl octyl ether, ≥99.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00014693 Synonym: 1-Nitro-2-octyloxybenzene
| MDL Number | MFCD00014693 |
|---|---|
| Synonym | 1-Nitro-2-octyloxybenzene |
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 |
2-Iodoanisole, 99%
CAS: 529-28-2 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00001039 InChI Key: DVQWNQBEUKXONL-UHFFFAOYSA-N Synonym: 2-iodoanisole,o-iodoanisole,benzene, 1-iodo-2-methoxy,iodoanisole,2-methoxyiodobenzene,o-anisyl iodide,2-iodophenol methyl ether,anisole, o-iodo,2-iodophenyl methyl ether,1-iodo-2-methoxy-benzene PubChem CID: 68257 ChEBI: CHEBI:16355 IUPAC Name: 1-iodo-2-methoxybenzene SMILES: COC1=CC=CC=C1I
| PubChem CID | 68257 |
|---|---|
| CAS | 529-28-2 |
| Molecular Weight (g/mol) | 234.036 |
| ChEBI | CHEBI:16355 |
| MDL Number | MFCD00001039 |
| SMILES | COC1=CC=CC=C1I |
| Synonym | 2-iodoanisole,o-iodoanisole,benzene, 1-iodo-2-methoxy,iodoanisole,2-methoxyiodobenzene,o-anisyl iodide,2-iodophenol methyl ether,anisole, o-iodo,2-iodophenyl methyl ether,1-iodo-2-methoxy-benzene |
| IUPAC Name | 1-iodo-2-methoxybenzene |
| InChI Key | DVQWNQBEUKXONL-UHFFFAOYSA-N |
| Molecular Formula | C7H7IO |
3,4-Dichlorobenzylamine, 96%
CAS: 102-49-8 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00008114 InChI Key: IXHNFOOSLAWRBQ-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine PubChem CID: 1608 IUPAC Name: (3,4-dichlorophenyl)methanamine SMILES: C1=CC(=C(C=C1CN)Cl)Cl
| PubChem CID | 1608 |
|---|---|
| CAS | 102-49-8 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00008114 |
| SMILES | C1=CC(=C(C=C1CN)Cl)Cl |
| Synonym | 3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine |
| IUPAC Name | (3,4-dichlorophenyl)methanamine |
| InChI Key | IXHNFOOSLAWRBQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
2,4-Dibromoanisole, 98%, Thermo Scientific™
CAS: 21702-84-1 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.92 MDL Number: MFCD00000079 InChI Key: XGXUGXPKRBQINS-UHFFFAOYSA-N Synonym: 2,4-dibromoanisole,benzene, 2,4-dibromo-1-methoxy,benzene,2,4-dibromo-1-methoxy,pubchem3847,acmc-209fnf,maybridge1_003667,chemwish ic06728,2,4-dibromo-1-methoxy-benzene,xgxugxpkrbqins-uhfffaoysa,# PubChem CID: 27011 IUPAC Name: 2,4-dibromo-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Br)Br
| PubChem CID | 27011 |
|---|---|
| CAS | 21702-84-1 |
| Molecular Weight (g/mol) | 265.92 |
| MDL Number | MFCD00000079 |
| SMILES | COC1=C(C=C(C=C1)Br)Br |
| Synonym | 2,4-dibromoanisole,benzene, 2,4-dibromo-1-methoxy,benzene,2,4-dibromo-1-methoxy,pubchem3847,acmc-209fnf,maybridge1_003667,chemwish ic06728,2,4-dibromo-1-methoxy-benzene,xgxugxpkrbqins-uhfffaoysa,# |
| IUPAC Name | 2,4-dibromo-1-methoxybenzene |
| InChI Key | XGXUGXPKRBQINS-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2O |