Benzene and substituted derivatives
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2-Chloro-4-(4-morpholinylcarbonyl)benzeneboronic acid, 97%, Thermo Scientific™
CAS: 2000187-73-3 Molecular Formula: C11H13BClNO4 Molecular Weight (g/mol): 269.488 MDL Number: MFCD22125139 InChI Key: OQKJPQSIYRSBBW-UHFFFAOYSA-N Synonym: 2-chloro-4-4-morpholinylcarbonyl benzeneboronic acid,2-chloro-4-4-morpholinylcarbonyl phenylboronic acid,2-chloro-4-morpholine-4-carbonyl phenylboronic acid PubChem CID: 73996122 IUPAC Name: [2-chloro-4-(morpholine-4-carbonyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)N2CCOCC2)Cl)(O)O
| PubChem CID | 73996122 |
|---|---|
| CAS | 2000187-73-3 |
| Molecular Weight (g/mol) | 269.488 |
| MDL Number | MFCD22125139 |
| SMILES | B(C1=C(C=C(C=C1)C(=O)N2CCOCC2)Cl)(O)O |
| Synonym | 2-chloro-4-4-morpholinylcarbonyl benzeneboronic acid,2-chloro-4-4-morpholinylcarbonyl phenylboronic acid,2-chloro-4-morpholine-4-carbonyl phenylboronic acid |
| IUPAC Name | [2-chloro-4-(morpholine-4-carbonyl)phenyl]boronic acid |
| InChI Key | OQKJPQSIYRSBBW-UHFFFAOYSA-N |
| Molecular Formula | C11H13BClNO4 |
2-Bromo-N-methylaniline, 95%
CAS: 6832-87-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.052 MDL Number: MFCD06798064 InChI Key: SMVIAQFTVWDWDS-UHFFFAOYSA-N PubChem CID: 334086 IUPAC Name: 2-bromo-N-methylaniline SMILES: CNC1=CC=CC=C1Br
| PubChem CID | 334086 |
|---|---|
| CAS | 6832-87-7 |
| Molecular Weight (g/mol) | 186.052 |
| MDL Number | MFCD06798064 |
| SMILES | CNC1=CC=CC=C1Br |
| IUPAC Name | 2-bromo-N-methylaniline |
| InChI Key | SMVIAQFTVWDWDS-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |
4-n-Propoxyaniline, 97%
CAS: 4469-80-1 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00043621 InChI Key: DWOIGSLSPPLRKO-UHFFFAOYSA-N Synonym: p-propoxyaniline,benzenamine, 4-propoxy,4-n-propoxyaniline,4-propoxyphenyl amine hydrochloride,4-propoxyphenylamine,hydrochloride,4-propyloxyaniline,4-propoxybenzenamine,4-propoxy-phenylamine PubChem CID: 78221 IUPAC Name: 4-propoxyaniline SMILES: CCCOC1=CC=C(N)C=C1
| PubChem CID | 78221 |
|---|---|
| CAS | 4469-80-1 |
| Molecular Weight (g/mol) | 151.21 |
| MDL Number | MFCD00043621 |
| SMILES | CCCOC1=CC=C(N)C=C1 |
| Synonym | p-propoxyaniline,benzenamine, 4-propoxy,4-n-propoxyaniline,4-propoxyphenyl amine hydrochloride,4-propoxyphenylamine,hydrochloride,4-propyloxyaniline,4-propoxybenzenamine,4-propoxy-phenylamine |
| IUPAC Name | 4-propoxyaniline |
| InChI Key | DWOIGSLSPPLRKO-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
3-Fluoro-2-formylbenzeneboronic acid, 95%
CAS: 871126-15-7 Molecular Formula: C7H6BFO3 Molecular Weight (g/mol): 167.93 MDL Number: MFCD10697421 InChI Key: GVHWLCYABLWGIR-UHFFFAOYSA-N Synonym: 3-fluoro-2-formylphenyl boronic acid,3-fluoro-2-formylbenzeneboronic acid,boronic acid, 3-fluoro-2-formylphenyl,acmc-209qf3,2-formyl-3-fluorophenylboranic acid,3-fluoro-2-formyl-phenyl boronic acid,3-fluoro-2-formylphenylboronic acid,boronic acid, b-3-fluoro-2-formylphenyl,contains varying amounts of anhydride PubChem CID: 53412038 IUPAC Name: (3-fluoro-2-formylphenyl)boronic acid SMILES: B(C1=C(C(=CC=C1)F)C=O)(O)O
| PubChem CID | 53412038 |
|---|---|
| CAS | 871126-15-7 |
| Molecular Weight (g/mol) | 167.93 |
| MDL Number | MFCD10697421 |
| SMILES | B(C1=C(C(=CC=C1)F)C=O)(O)O |
| Synonym | 3-fluoro-2-formylphenyl boronic acid,3-fluoro-2-formylbenzeneboronic acid,boronic acid, 3-fluoro-2-formylphenyl,acmc-209qf3,2-formyl-3-fluorophenylboranic acid,3-fluoro-2-formyl-phenyl boronic acid,3-fluoro-2-formylphenylboronic acid,boronic acid, b-3-fluoro-2-formylphenyl,contains varying amounts of anhydride |
| IUPAC Name | (3-fluoro-2-formylphenyl)boronic acid |
| InChI Key | GVHWLCYABLWGIR-UHFFFAOYSA-N |
| Molecular Formula | C7H6BFO3 |
3-Phenylsulfonamidopyridine-5-boronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 1083326-28-6 Molecular Formula: C17H21BN2O4S Molecular Weight (g/mol): 360.235 MDL Number: MFCD13190589 InChI Key: UXJVHVXONVGHIL-UHFFFAOYSA-N Synonym: n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,3-phenylsulfonamidopyridine-5-boronic acid pinacol ester,n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3-pyridinyl benzenesulfonamide,n-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,n-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide PubChem CID: 52936632 IUPAC Name: N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NS(=O)(=O)C3=CC=CC=C3
| PubChem CID | 52936632 |
|---|---|
| CAS | 1083326-28-6 |
| Molecular Weight (g/mol) | 360.235 |
| MDL Number | MFCD13190589 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NS(=O)(=O)C3=CC=CC=C3 |
| Synonym | n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,3-phenylsulfonamidopyridine-5-boronic acid pinacol ester,n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3-pyridinyl benzenesulfonamide,n-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,n-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide |
| IUPAC Name | N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide |
| InChI Key | UXJVHVXONVGHIL-UHFFFAOYSA-N |
| Molecular Formula | C17H21BN2O4S |
4-Bromo-2-methylbenzaldehyde, 95%
CAS: 24078-12-4 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD07787171 InChI Key: RCBPVESMGNZMSG-UHFFFAOYSA-N Synonym: 4-bromo-2-methyl-benzaldehyde,2-methyl-4-bromobenzaldehyde,5-bromo-2-formyltoluene,benzaldehyde, 4-bromo-2-methyl,acmc-1chij,4-brom-2-methylbenzaldehyd,ksc494k3j,4-bromo-2-methyl benzaldehyde,benzaldehyde,4-bromo-2-methyl PubChem CID: 13555150 IUPAC Name: 4-bromo-2-methylbenzaldehyde SMILES: CC1=C(C=CC(=C1)Br)C=O
| PubChem CID | 13555150 |
|---|---|
| CAS | 24078-12-4 |
| Molecular Weight (g/mol) | 199.047 |
| MDL Number | MFCD07787171 |
| SMILES | CC1=C(C=CC(=C1)Br)C=O |
| Synonym | 4-bromo-2-methyl-benzaldehyde,2-methyl-4-bromobenzaldehyde,5-bromo-2-formyltoluene,benzaldehyde, 4-bromo-2-methyl,acmc-1chij,4-brom-2-methylbenzaldehyd,ksc494k3j,4-bromo-2-methyl benzaldehyde,benzaldehyde,4-bromo-2-methyl |
| IUPAC Name | 4-bromo-2-methylbenzaldehyde |
| InChI Key | RCBPVESMGNZMSG-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
2-Bromo-3,4-difluoroaniline, 97%
CAS: 1092349-87-5 Molecular Formula: C6H4BrF2N Molecular Weight (g/mol): 208.01 MDL Number: MFCD11035924 InChI Key: ZGZURPPCPVPDMX-UHFFFAOYSA-N Synonym: 2-bromo-3,4-difluoro aniline,2-bromo-3,4-difluorophenylamine,2-bromo-3,4-difluorobenzenamine PubChem CID: 22731604 IUPAC Name: 2-bromo-3,4-difluoroaniline SMILES: NC1=C(Br)C(F)=C(F)C=C1
| PubChem CID | 22731604 |
|---|---|
| CAS | 1092349-87-5 |
| Molecular Weight (g/mol) | 208.01 |
| MDL Number | MFCD11035924 |
| SMILES | NC1=C(Br)C(F)=C(F)C=C1 |
| Synonym | 2-bromo-3,4-difluoro aniline,2-bromo-3,4-difluorophenylamine,2-bromo-3,4-difluorobenzenamine |
| IUPAC Name | 2-bromo-3,4-difluoroaniline |
| InChI Key | ZGZURPPCPVPDMX-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrF2N |
N-Methyl-3-(trifluoromethyl)benzylamine, 95%
CAS: 90390-07-1 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.181 MDL Number: MFCD04115410 InChI Key: JFLPPELZYKHKQZ-UHFFFAOYSA-N Synonym: n-methyl-3-trifluoromethyl benzylamine,n-methyl-n-3-trifluoromethyl benzyl amine,n-methyl-1-3-trifluoromethyl phenyl methanamine,methyl 3-trifluoromethyl phenyl methyl amine,benzenemethanamine, n-methyl-3-trifluoromethyl,n-methyl 3-trifluoromethyl phenyl methanamine,n-methyl-1-3-trifluoromethyl phenyl methanamine hydrochloride,chembrdg-bb 4004318,methyl-3-trifluoromethyl-benzyl-amine PubChem CID: 485414 IUPAC Name: N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine SMILES: CNCC1=CC(=CC=C1)C(F)(F)F
| PubChem CID | 485414 |
|---|---|
| CAS | 90390-07-1 |
| Molecular Weight (g/mol) | 189.181 |
| MDL Number | MFCD04115410 |
| SMILES | CNCC1=CC(=CC=C1)C(F)(F)F |
| Synonym | n-methyl-3-trifluoromethyl benzylamine,n-methyl-n-3-trifluoromethyl benzyl amine,n-methyl-1-3-trifluoromethyl phenyl methanamine,methyl 3-trifluoromethyl phenyl methyl amine,benzenemethanamine, n-methyl-3-trifluoromethyl,n-methyl 3-trifluoromethyl phenyl methanamine,n-methyl-1-3-trifluoromethyl phenyl methanamine hydrochloride,chembrdg-bb 4004318,methyl-3-trifluoromethyl-benzyl-amine |
| IUPAC Name | N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine |
| InChI Key | JFLPPELZYKHKQZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10F3N |
N-Boc-4-bromoaniline, 97%
CAS: 131818-17-2 Molecular Formula: C11H14BrNO2 Molecular Weight (g/mol): 272.14 MDL Number: MFCD01006612 InChI Key: VLGPDTPSKUUHKR-UHFFFAOYSA-N Synonym: tert-butyl 4-bromophenyl carbamate,tert-butyl n-4-bromophenyl carbamate,tert-butyl 4-bromophenylcarbamate,n-boc-4-bromoaniline,n-tert-butoxycarbonyl-4-bromoaniline,metronidazolebenzoate,n-boc 4-bromoaniline,4-bromo-n-boc aniline,acmc-1c4z5,t-butyl 4-bromophenylcarbamate PubChem CID: 2773608 IUPAC Name: tert-butyl N-(4-bromophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(Br)C=C1
| PubChem CID | 2773608 |
|---|---|
| CAS | 131818-17-2 |
| Molecular Weight (g/mol) | 272.14 |
| MDL Number | MFCD01006612 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(Br)C=C1 |
| Synonym | tert-butyl 4-bromophenyl carbamate,tert-butyl n-4-bromophenyl carbamate,tert-butyl 4-bromophenylcarbamate,n-boc-4-bromoaniline,n-tert-butoxycarbonyl-4-bromoaniline,metronidazolebenzoate,n-boc 4-bromoaniline,4-bromo-n-boc aniline,acmc-1c4z5,t-butyl 4-bromophenylcarbamate |
| IUPAC Name | tert-butyl N-(4-bromophenyl)carbamate |
| InChI Key | VLGPDTPSKUUHKR-UHFFFAOYSA-N |
| Molecular Formula | C11H14BrNO2 |
3-Bromo-2,6-difluoroaniline, 96%
CAS: 1262198-07-1 Molecular Formula: C6H4BrF2N Molecular Weight (g/mol): 208.01 MDL Number: MFCD22627833 InChI Key: HIZADWSSPWORHH-UHFFFAOYSA-N Synonym: benzenamine,3-bromo-2,6-difluoro PubChem CID: 21645692 IUPAC Name: 3-bromo-2,6-difluoroaniline SMILES: NC1=C(F)C=CC(Br)=C1F
| PubChem CID | 21645692 |
|---|---|
| CAS | 1262198-07-1 |
| Molecular Weight (g/mol) | 208.01 |
| MDL Number | MFCD22627833 |
| SMILES | NC1=C(F)C=CC(Br)=C1F |
| Synonym | benzenamine,3-bromo-2,6-difluoro |
| IUPAC Name | 3-bromo-2,6-difluoroaniline |
| InChI Key | HIZADWSSPWORHH-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrF2N |
Sodium 4-aminosalicylate dihydrate, 98%
CAS: 6018-19-5 Molecular Formula: C7H10NNaO5 Molecular Weight (g/mol): 211.149 MDL Number: MFCD00151044 InChI Key: GMUQJDAYXZXBOT-UHFFFAOYSA-M Synonym: sodium 4-aminosalicylate dihydrate,sodium 4-amino-2-hydroxybenzoate dihydrate,parasal sodium,4-aminosalicylic acid sodium salt dihydrate,unii-s38b9w6axw,aminosalicylate sodium,sodium aminosalicylate,sodium p.a.s.,s38b9w6axw,aminosalicylate sodium usp PubChem CID: 16211148 IUPAC Name: sodium;4-amino-2-hydroxybenzoate;dihydrate SMILES: C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+]
| PubChem CID | 16211148 |
|---|---|
| CAS | 6018-19-5 |
| Molecular Weight (g/mol) | 211.149 |
| MDL Number | MFCD00151044 |
| SMILES | C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+] |
| Synonym | sodium 4-aminosalicylate dihydrate,sodium 4-amino-2-hydroxybenzoate dihydrate,parasal sodium,4-aminosalicylic acid sodium salt dihydrate,unii-s38b9w6axw,aminosalicylate sodium,sodium aminosalicylate,sodium p.a.s.,s38b9w6axw,aminosalicylate sodium usp |
| IUPAC Name | sodium;4-amino-2-hydroxybenzoate;dihydrate |
| InChI Key | GMUQJDAYXZXBOT-UHFFFAOYSA-M |
| Molecular Formula | C7H10NNaO5 |
3-Aminobenzyl alcohol, 98+%
CAS: 1877-77-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00007817 InChI Key: OJZQOQNSUZLSMV-UHFFFAOYSA-N Synonym: 3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol PubChem CID: 80293 IUPAC Name: (3-aminophenyl)methanol SMILES: NC1=CC=CC(CO)=C1
| PubChem CID | 80293 |
|---|---|
| CAS | 1877-77-6 |
| Molecular Weight (g/mol) | 123.16 |
| MDL Number | MFCD00007817 |
| SMILES | NC1=CC=CC(CO)=C1 |
| Synonym | 3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol |
| IUPAC Name | (3-aminophenyl)methanol |
| InChI Key | OJZQOQNSUZLSMV-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Ethyltriphenylphosphonium iodide, 98+%
CAS: 4736-60-1 Molecular Formula: C20H20IP Molecular Weight (g/mol): 418.26 MDL Number: MFCD00040352 InChI Key: SLAFUPJSGFVWPP-UHFFFAOYSA-M Synonym: ethyltriphenylphosphonium iodide,phosphonium, ethyltriphenyl-, iodide,ethyl triphenylphosphonium iodide,phenylphosphonium ethyl iodide,unii-xxz2v239jn,xxz2v239jn,ethyltriphenylphosphanium iodide,phosphonium, ethyltriphenyl-, iodide 1:1,ethyl triphenyl phosphanium iodide,ethyl triphenyl phosphonium iodide PubChem CID: 78474 IUPAC Name: ethyl(triphenyl)phosphanium;iodide SMILES: [I-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 78474 |
|---|---|
| CAS | 4736-60-1 |
| Molecular Weight (g/mol) | 418.26 |
| MDL Number | MFCD00040352 |
| SMILES | [I-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ethyltriphenylphosphonium iodide,phosphonium, ethyltriphenyl-, iodide,ethyl triphenylphosphonium iodide,phenylphosphonium ethyl iodide,unii-xxz2v239jn,xxz2v239jn,ethyltriphenylphosphanium iodide,phosphonium, ethyltriphenyl-, iodide 1:1,ethyl triphenyl phosphanium iodide,ethyl triphenyl phosphonium iodide |
| IUPAC Name | ethyl(triphenyl)phosphanium;iodide |
| InChI Key | SLAFUPJSGFVWPP-UHFFFAOYSA-M |
| Molecular Formula | C20H20IP |
Triphenyl phosphite, 97%
CAS: 101-02-0 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.289 MDL Number: MFCD00003032 InChI Key: HVLLSGMXQDNUAL-UHFFFAOYSA-N Synonym: phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 PubChem CID: 7540 IUPAC Name: triphenyl phosphite SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3
| PubChem CID | 7540 |
|---|---|
| CAS | 101-02-0 |
| Molecular Weight (g/mol) | 310.289 |
| MDL Number | MFCD00003032 |
| SMILES | C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| Synonym | phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 |
| IUPAC Name | triphenyl phosphite |
| InChI Key | HVLLSGMXQDNUAL-UHFFFAOYSA-N |
| Molecular Formula | C18H15O3P |
4-Ethylbenzaldehyde, 97%
CAS: 4748-78-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00006956 InChI Key: QNGNSVIICDLXHT-UHFFFAOYSA-N Synonym: p-ethylbenzaldehyde,benzaldehyde, 4-ethyl,4-ethyl benzaldehyde,4-ethyl-benzaldehyde,ebal,ethyl benzaldehyde,ethyl-benzaldehyde,unii-289ppw3sg4,benzaldehyde,4-ethyl,ethylbenzaldehyde, p PubChem CID: 20861 IUPAC Name: 4-ethylbenzaldehyde SMILES: CCC1=CC=C(C=C1)C=O
| PubChem CID | 20861 |
|---|---|
| CAS | 4748-78-1 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00006956 |
| SMILES | CCC1=CC=C(C=C1)C=O |
| Synonym | p-ethylbenzaldehyde,benzaldehyde, 4-ethyl,4-ethyl benzaldehyde,4-ethyl-benzaldehyde,ebal,ethyl benzaldehyde,ethyl-benzaldehyde,unii-289ppw3sg4,benzaldehyde,4-ethyl,ethylbenzaldehyde, p |
| IUPAC Name | 4-ethylbenzaldehyde |
| InChI Key | QNGNSVIICDLXHT-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |