Benzene and substituted derivatives
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2-(Methylsulfonyl)benzeneboronic acid, 98%
CAS: 330804-03-0 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.015 MDL Number: MFCD02179472 InChI Key: MSQFFCRGQPVQRS-UHFFFAOYSA-N Synonym: 2-methylsulfonyl phenylboronic acid,2-methylsulfonyl phenyl boronic acid,2-methylsulfonylphenyl boronic acid,2-methanesulfonyl phenylboronic acid,2-methylsulphonyl phenylboronic acid,2-methanesulfonylphenylboronic acid,2-methylsulphonyl benzeneboronic acid,2-methylsulfonyl benzeneboronic acid,b-2-methylsulfonyl phenyl-boronic acid PubChem CID: 2773539 IUPAC Name: (2-methylsulfonylphenyl)boronic acid SMILES: B(C1=CC=CC=C1S(=O)(=O)C)(O)O
| PubChem CID | 2773539 |
|---|---|
| CAS | 330804-03-0 |
| Molecular Weight (g/mol) | 200.015 |
| MDL Number | MFCD02179472 |
| SMILES | B(C1=CC=CC=C1S(=O)(=O)C)(O)O |
| Synonym | 2-methylsulfonyl phenylboronic acid,2-methylsulfonyl phenyl boronic acid,2-methylsulfonylphenyl boronic acid,2-methanesulfonyl phenylboronic acid,2-methylsulphonyl phenylboronic acid,2-methanesulfonylphenylboronic acid,2-methylsulphonyl benzeneboronic acid,2-methylsulfonyl benzeneboronic acid,b-2-methylsulfonyl phenyl-boronic acid |
| IUPAC Name | (2-methylsulfonylphenyl)boronic acid |
| InChI Key | MSQFFCRGQPVQRS-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO4S |
Methyl 3-fluoro-4-nitrobenzoate, 97%
CAS: 185629-31-6 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.137 MDL Number: MFCD08444027 InChI Key: FKMZNQQOPCCUTD-UHFFFAOYSA-N PubChem CID: 592761 IUPAC Name: methyl 3-fluoro-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F
| PubChem CID | 592761 |
|---|---|
| CAS | 185629-31-6 |
| Molecular Weight (g/mol) | 199.137 |
| MDL Number | MFCD08444027 |
| SMILES | COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F |
| IUPAC Name | methyl 3-fluoro-4-nitrobenzoate |
| InChI Key | FKMZNQQOPCCUTD-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO4 |
3-Ethoxy-2,4-difluorobenzoic acid, 97%
CAS: 1017779-88-2 Molecular Formula: C9H8F2O3 Molecular Weight (g/mol): 202.157 MDL Number: MFCD09258723 InChI Key: KUOUFQUWQYELBO-UHFFFAOYSA-N Synonym: 3-ethoxy-2,4-difluorobenzoic acid, jrd PubChem CID: 46737640 IUPAC Name: 3-ethoxy-2,4-difluorobenzoic acid SMILES: CCOC1=C(C=CC(=C1F)C(=O)O)F
| PubChem CID | 46737640 |
|---|---|
| CAS | 1017779-88-2 |
| Molecular Weight (g/mol) | 202.157 |
| MDL Number | MFCD09258723 |
| SMILES | CCOC1=C(C=CC(=C1F)C(=O)O)F |
| Synonym | 3-ethoxy-2,4-difluorobenzoic acid, jrd |
| IUPAC Name | 3-ethoxy-2,4-difluorobenzoic acid |
| InChI Key | KUOUFQUWQYELBO-UHFFFAOYSA-N |
| Molecular Formula | C9H8F2O3 |
2-Bromo-1,3-dichloro-5-(trifluoromethoxy)benzene, 97%
CAS: 118754-55-5 Molecular Formula: C7H2BrCl2F3O Molecular Weight (g/mol): 309.891 MDL Number: MFCD03412210 InChI Key: CAAJZKZQEJSRJO-UHFFFAOYSA-N Synonym: 2-bromo-1,3-dichloro-5-trifluoromethoxy benzene,2,6-dichloro-4-trifluoromethoxy bromobenzene,4-bromo-3,5-dichloro-1-trifluoromethoxy benzene,benzene,2-bromo-1,3-dichloro-5-trifluoromethoxy,acmc-1c5si PubChem CID: 18947696 IUPAC Name: 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene SMILES: C1=C(C=C(C(=C1Cl)Br)Cl)OC(F)(F)F
| PubChem CID | 18947696 |
|---|---|
| CAS | 118754-55-5 |
| Molecular Weight (g/mol) | 309.891 |
| MDL Number | MFCD03412210 |
| SMILES | C1=C(C=C(C(=C1Cl)Br)Cl)OC(F)(F)F |
| Synonym | 2-bromo-1,3-dichloro-5-trifluoromethoxy benzene,2,6-dichloro-4-trifluoromethoxy bromobenzene,4-bromo-3,5-dichloro-1-trifluoromethoxy benzene,benzene,2-bromo-1,3-dichloro-5-trifluoromethoxy,acmc-1c5si |
| IUPAC Name | 2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene |
| InChI Key | CAAJZKZQEJSRJO-UHFFFAOYSA-N |
| Molecular Formula | C7H2BrCl2F3O |
3-Chloro-5-fluorobenzeneboronic acid, 95%
CAS: 328956-61-2 Molecular Formula: C6H5BClFO2 Molecular Weight (g/mol): 174.36 MDL Number: MFCD06801741 InChI Key: XYQDHVBKUNNLGZ-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobenzeneboronic acid,3-chloro-5-fluorophenyl boronic acid,boronic acid, 3-chloro-5-fluorophenyl,pubchem6363,acmc-1agjy,ksc497k5n,3-borono-5-fluorochlorobenzene,3-chloro-5-fluoro-benzeneboronic acid,3-chloro-5-fluoro-phenyl boronic acid,3-chloranyl-5-fluoranyl-phenyl boronic acid PubChem CID: 15391287 IUPAC Name: (3-chloro-5-fluorophenyl)boronic acid SMILES: OB(O)C1=CC(F)=CC(Cl)=C1
| PubChem CID | 15391287 |
|---|---|
| CAS | 328956-61-2 |
| Molecular Weight (g/mol) | 174.36 |
| MDL Number | MFCD06801741 |
| SMILES | OB(O)C1=CC(F)=CC(Cl)=C1 |
| Synonym | 3-chloro-5-fluorobenzeneboronic acid,3-chloro-5-fluorophenyl boronic acid,boronic acid, 3-chloro-5-fluorophenyl,pubchem6363,acmc-1agjy,ksc497k5n,3-borono-5-fluorochlorobenzene,3-chloro-5-fluoro-benzeneboronic acid,3-chloro-5-fluoro-phenyl boronic acid,3-chloranyl-5-fluoranyl-phenyl boronic acid |
| IUPAC Name | (3-chloro-5-fluorophenyl)boronic acid |
| InChI Key | XYQDHVBKUNNLGZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BClFO2 |
3,5-Bis(methoxycarbonyl)benzeneboronic acid pinacol ester, 97%
CAS: 944392-68-1 Molecular Formula: C16H21BO6 Molecular Weight (g/mol): 320.148 MDL Number: MFCD11858596 InChI Key: IGSNWXAGFXHYOG-UHFFFAOYSA-N PubChem CID: 42614529 IUPAC Name: dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC
| PubChem CID | 42614529 |
|---|---|
| CAS | 944392-68-1 |
| Molecular Weight (g/mol) | 320.148 |
| MDL Number | MFCD11858596 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
| IUPAC Name | dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate |
| InChI Key | IGSNWXAGFXHYOG-UHFFFAOYSA-N |
| Molecular Formula | C16H21BO6 |
2-Fluoro-5-methoxybenzoic acid, 97+%
CAS: 367-83-9 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD00272566 InChI Key: REDSLTKMNCCQBC-UHFFFAOYSA-N PubChem CID: 2774543 IUPAC Name: 2-fluoro-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)F)C(=O)O
| PubChem CID | 2774543 |
|---|---|
| CAS | 367-83-9 |
| Molecular Weight (g/mol) | 170.139 |
| MDL Number | MFCD00272566 |
| SMILES | COC1=CC(=C(C=C1)F)C(=O)O |
| IUPAC Name | 2-fluoro-5-methoxybenzoic acid |
| InChI Key | REDSLTKMNCCQBC-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO3 |
Methyl hydrogen terephthalate, 99+%
CAS: 1679-64-7 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00002557 InChI Key: REIDAMBAPLIATC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate PubChem CID: 15513 IUPAC Name: 4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 15513 |
|---|---|
| CAS | 1679-64-7 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00002557 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate |
| IUPAC Name | 4-methoxycarbonylbenzoic acid |
| InChI Key | REIDAMBAPLIATC-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
4-Bromo-4'-iodobiphenyl, 98%
CAS: 105946-82-5 Molecular Formula: C12H8BrI Molecular Weight (g/mol): 359.004 MDL Number: MFCD17676204 InChI Key: GWOAJJWBCSUGHH-UHFFFAOYSA-N Synonym: 4-bromo-4'-iodobiphenyl,4-bromo-4'-iodo-1,1'-biphenyl,1,1'-biphenyl, 4-bromo-4'-iodo,1-bromo-4-4-iodophenyl benzene,4'-bromo-4-iodobiphenyl,4-iodo-4'-bromobiphenyl,4-bromo-4'-iodo-biphenyl,4-bromo-4/'-iodobiphenyl,ksc164g2f PubChem CID: 10904452 IUPAC Name: 1-bromo-4-(4-iodophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)I)Br
| PubChem CID | 10904452 |
|---|---|
| CAS | 105946-82-5 |
| Molecular Weight (g/mol) | 359.004 |
| MDL Number | MFCD17676204 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)I)Br |
| Synonym | 4-bromo-4'-iodobiphenyl,4-bromo-4'-iodo-1,1'-biphenyl,1,1'-biphenyl, 4-bromo-4'-iodo,1-bromo-4-4-iodophenyl benzene,4'-bromo-4-iodobiphenyl,4-iodo-4'-bromobiphenyl,4-bromo-4'-iodo-biphenyl,4-bromo-4/'-iodobiphenyl,ksc164g2f |
| IUPAC Name | 1-bromo-4-(4-iodophenyl)benzene |
| InChI Key | GWOAJJWBCSUGHH-UHFFFAOYSA-N |
| Molecular Formula | C12H8BrI |
4-Methylsulfamoylbenzeneboronic acid, 97%
CAS: 226396-31-2 Molecular Formula: C7H10BNO4S Molecular Weight (g/mol): 215.03 MDL Number: MFCD06659864 InChI Key: DOQOQZHSIBBHMY-UHFFFAOYSA-N Synonym: 4-n-methylsulfamoyl phenyl boronic acid,methyl 4-boronobenzenesulfonamide,4-methylsulfamoyl phenyl boronic acid,4-methylaminosulphonyl benzene boronic acid,4-n-methylsulfamoyl phenylboronic acid,4-methylsulfamoyl phenylboronic acid,4-methylsulfamoylphenylboronic acid,boronic acid, 4-methylamino sulfonyl phenyl,acmc-209fxs PubChem CID: 44118763 IUPAC Name: [4-(methylsulfamoyl)phenyl]boronic acid SMILES: CNS(=O)(=O)C1=CC=C(C=C1)B(O)O
| PubChem CID | 44118763 |
|---|---|
| CAS | 226396-31-2 |
| Molecular Weight (g/mol) | 215.03 |
| MDL Number | MFCD06659864 |
| SMILES | CNS(=O)(=O)C1=CC=C(C=C1)B(O)O |
| Synonym | 4-n-methylsulfamoyl phenyl boronic acid,methyl 4-boronobenzenesulfonamide,4-methylsulfamoyl phenyl boronic acid,4-methylaminosulphonyl benzene boronic acid,4-n-methylsulfamoyl phenylboronic acid,4-methylsulfamoyl phenylboronic acid,4-methylsulfamoylphenylboronic acid,boronic acid, 4-methylamino sulfonyl phenyl,acmc-209fxs |
| IUPAC Name | [4-(methylsulfamoyl)phenyl]boronic acid |
| InChI Key | DOQOQZHSIBBHMY-UHFFFAOYSA-N |
| Molecular Formula | C7H10BNO4S |
Methyl 4-fluoro-2-methoxybenzoate, 97+%, Thermo Scientific Chemicals
CAS: 204707-42-6 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.17 MDL Number: MFCD06203990 InChI Key: LJUAEPNTXDJBRX-UHFFFAOYSA-N Synonym: 4-fluoro-2-methoxybenzoic acid methyl ester,methyl 2-methoxy-4-fluoro-benzoate,benzoic acid, 4-fluoro-2-methoxy-, methyl ester,rarechem al bf 1023,methyl-4-fluoro-2-methoxybenzoate,methyl 4-fluoranyl-2-methoxy-benzoate,2-methoxy-4-fluorobenzoic acid methyl ester,4-fluoro-2-methoxy-benzoic acid methyl ester PubChem CID: 10241478 IUPAC Name: methyl 4-fluoro-2-methoxybenzoate SMILES: COC(=O)C1=C(OC)C=C(F)C=C1
| PubChem CID | 10241478 |
|---|---|
| CAS | 204707-42-6 |
| Molecular Weight (g/mol) | 184.17 |
| MDL Number | MFCD06203990 |
| SMILES | COC(=O)C1=C(OC)C=C(F)C=C1 |
| Synonym | 4-fluoro-2-methoxybenzoic acid methyl ester,methyl 2-methoxy-4-fluoro-benzoate,benzoic acid, 4-fluoro-2-methoxy-, methyl ester,rarechem al bf 1023,methyl-4-fluoro-2-methoxybenzoate,methyl 4-fluoranyl-2-methoxy-benzoate,2-methoxy-4-fluorobenzoic acid methyl ester,4-fluoro-2-methoxy-benzoic acid methyl ester |
| IUPAC Name | methyl 4-fluoro-2-methoxybenzoate |
| InChI Key | LJUAEPNTXDJBRX-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO3 |
2-Hydroxy-4-methoxybenzoic acid, 98%
CAS: 2237-36-7 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002450 InChI Key: MRIXVKKOHPQOFK-UHFFFAOYSA-N Synonym: 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b PubChem CID: 75231 IUPAC Name: 2-hydroxy-4-methoxybenzoic acid SMILES: COC1=CC=C(C(O)=O)C(O)=C1
| PubChem CID | 75231 |
|---|---|
| CAS | 2237-36-7 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00002450 |
| SMILES | COC1=CC=C(C(O)=O)C(O)=C1 |
| Synonym | 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b |
| IUPAC Name | 2-hydroxy-4-methoxybenzoic acid |
| InChI Key | MRIXVKKOHPQOFK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
N-Methyl-2-(morpholinosulfonyl)benzylamine, 97%, Thermo Scientific™
CAS: 941717-08-4 Molecular Formula: C12H18N2O3S Molecular Weight (g/mol): 270.35 MDL Number: MFCD09879987 InChI Key: ASGSHKVYZRSASF-UHFFFAOYSA-N Synonym: n-methyl-2-morpholinosulfonyl benzylamine,4-2-methylamino methyl phenylsulphonyl morpholine,methyl 2-morpholine-4-sulfonyl phenyl methyl amine,4-2-methylamino methyl phenylsulfonyl morpholine,n-methyl-1-2-morpholinosulfonyl phenyl methanamine,n-methyl-1-2-morpholine-4-sulfonyl phenyl methanamine PubChem CID: 24229774 IUPAC Name: N-methyl-1-(2-morpholin-4-ylsulfonylphenyl)methanamine SMILES: CNCC1=CC=CC=C1S(=O)(=O)N1CCOCC1
| PubChem CID | 24229774 |
|---|---|
| CAS | 941717-08-4 |
| Molecular Weight (g/mol) | 270.35 |
| MDL Number | MFCD09879987 |
| SMILES | CNCC1=CC=CC=C1S(=O)(=O)N1CCOCC1 |
| Synonym | n-methyl-2-morpholinosulfonyl benzylamine,4-2-methylamino methyl phenylsulphonyl morpholine,methyl 2-morpholine-4-sulfonyl phenyl methyl amine,4-2-methylamino methyl phenylsulfonyl morpholine,n-methyl-1-2-morpholinosulfonyl phenyl methanamine,n-methyl-1-2-morpholine-4-sulfonyl phenyl methanamine |
| IUPAC Name | N-methyl-1-(2-morpholin-4-ylsulfonylphenyl)methanamine |
| InChI Key | ASGSHKVYZRSASF-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2O3S |
2-Bromo-4-(trifluoromethyl)phenol, 98%
CAS: 81107-97-3 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD06657954 InChI Key: DTEDKIRYMYDIGO-UHFFFAOYSA-N PubChem CID: 2761168 IUPAC Name: 2-bromo-4-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)O
| PubChem CID | 2761168 |
|---|---|
| CAS | 81107-97-3 |
| Molecular Weight (g/mol) | 241.007 |
| MDL Number | MFCD06657954 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)O |
| IUPAC Name | 2-bromo-4-(trifluoromethyl)phenol |
| InChI Key | DTEDKIRYMYDIGO-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |
2-Fluoro-3-nitrobenzoic acid, 97%
CAS: 317-46-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD06797825 InChI Key: WLGUSLGYTNJJFV-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro PubChem CID: 18672992 IUPAC Name: 2-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O
| PubChem CID | 18672992 |
|---|---|
| CAS | 317-46-4 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD06797825 |
| SMILES | OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O |
| Synonym | 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro |
| IUPAC Name | 2-fluoro-3-nitrobenzoic acid |
| InChI Key | WLGUSLGYTNJJFV-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |