Benzene and substituted derivatives
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2,3-Dichlorophenylhydrazine hydrochloride, 97%
CAS: 21938-47-6 Molecular Formula: C6H6Cl2N2 Molecular Weight (g/mol): 177.03 MDL Number: MFCD00052265 InChI Key: HPIALSXRVQRGMK-UHFFFAOYSA-N Synonym: 2,3-dichlorophenylhydrazine hydrochloride,2,3-dichlorophenyl hydrazine hydrochloride,hydrazine, 2,3-dichlorophenyl-, monohydrochloride,1-2,3-dichlorophenyl hydrazine hydrochloride,pubchem7561,acmc-209fpn,ksc494k0t,2,3-dichlorophenylhydrazine, chloride,2,3-dichlorophenylhydrazine hcl PubChem CID: 12276572 IUPAC Name: (2,3-dichlorophenyl)hydrazine;hydrochloride SMILES: NNC1=CC=CC(Cl)=C1Cl
| PubChem CID | 12276572 |
|---|---|
| CAS | 21938-47-6 |
| Molecular Weight (g/mol) | 177.03 |
| MDL Number | MFCD00052265 |
| SMILES | NNC1=CC=CC(Cl)=C1Cl |
| Synonym | 2,3-dichlorophenylhydrazine hydrochloride,2,3-dichlorophenyl hydrazine hydrochloride,hydrazine, 2,3-dichlorophenyl-, monohydrochloride,1-2,3-dichlorophenyl hydrazine hydrochloride,pubchem7561,acmc-209fpn,ksc494k0t,2,3-dichlorophenylhydrazine, chloride,2,3-dichlorophenylhydrazine hcl |
| IUPAC Name | (2,3-dichlorophenyl)hydrazine;hydrochloride |
| InChI Key | HPIALSXRVQRGMK-UHFFFAOYSA-N |
| Molecular Formula | C6H6Cl2N2 |
4-Fluorophenylacetone, 99%
CAS: 459-03-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00000362 InChI Key: ZUEKIIWSVFBTCM-UHFFFAOYSA-N Synonym: 4-fluorophenylacetone,4-fluorophenyl acetone,1-4-fluorophenyl propan-2-one,1-4-fluorophenyl acetone,1-4-fluorophenyl-2-propanone,2-propanone, 1-4-fluorophenyl,p-fluorophenyl acetone,1-acetonyl-4-fluorobenzene,1-4-fluoro-phenyl-propan-2-one PubChem CID: 521187 IUPAC Name: 1-(4-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(F)C=C1
| PubChem CID | 521187 |
|---|---|
| CAS | 459-03-0 |
| Molecular Weight (g/mol) | 152.17 |
| MDL Number | MFCD00000362 |
| SMILES | CC(=O)CC1=CC=C(F)C=C1 |
| Synonym | 4-fluorophenylacetone,4-fluorophenyl acetone,1-4-fluorophenyl propan-2-one,1-4-fluorophenyl acetone,1-4-fluorophenyl-2-propanone,2-propanone, 1-4-fluorophenyl,p-fluorophenyl acetone,1-acetonyl-4-fluorobenzene,1-4-fluoro-phenyl-propan-2-one |
| IUPAC Name | 1-(4-fluorophenyl)propan-2-one |
| InChI Key | ZUEKIIWSVFBTCM-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |
2-Amino-3,6-difluorobenzonitrile, 97%
CAS: 190011-81-5 Molecular Formula: C7H4F2N2 Molecular Weight (g/mol): 154.12 MDL Number: MFCD13178244 InChI Key: ZPQFHGOBMGGBEP-UHFFFAOYSA-N Synonym: 2-amino-3,6-difluoro-benzonitrile,2-cyano-3,6-difluoroaniline,2-amino-3,6-difluorobenzonitrile,benzonitrile, 2-amino-3,6-difluoro-9ci PubChem CID: 45090591 IUPAC Name: 2-amino-3,6-difluorobenzonitrile SMILES: NC1=C(F)C=CC(F)=C1C#N
| PubChem CID | 45090591 |
|---|---|
| CAS | 190011-81-5 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD13178244 |
| SMILES | NC1=C(F)C=CC(F)=C1C#N |
| Synonym | 2-amino-3,6-difluoro-benzonitrile,2-cyano-3,6-difluoroaniline,2-amino-3,6-difluorobenzonitrile,benzonitrile, 2-amino-3,6-difluoro-9ci |
| IUPAC Name | 2-amino-3,6-difluorobenzonitrile |
| InChI Key | ZPQFHGOBMGGBEP-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2N2 |
3,4-Dichlorobenzyl chloride, 98+%
CAS: 102-47-6 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000906 InChI Key: YZIFVWOCPGPNHB-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro PubChem CID: 7609 IUPAC Name: 1,2-dichloro-4-(chloromethyl)benzene SMILES: C1=CC(=C(C=C1CCl)Cl)Cl
| PubChem CID | 7609 |
|---|---|
| CAS | 102-47-6 |
| Molecular Weight (g/mol) | 195.47 |
| MDL Number | MFCD00000906 |
| SMILES | C1=CC(=C(C=C1CCl)Cl)Cl |
| Synonym | 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro |
| IUPAC Name | 1,2-dichloro-4-(chloromethyl)benzene |
| InChI Key | YZIFVWOCPGPNHB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3 |
(1-Ethoxycarbonylcyclopropyl)triphenylphosphonium tetrafluoroborate, 98%
CAS: 52186-89-7 Molecular Formula: C24H24BF4O2P Molecular Weight (g/mol): 462.23 MDL Number: MFCD00051879 InChI Key: RGJYRMUGSAFITK-UHFFFAOYSA-N Synonym: 1-carbethoxycyclopropyltriphenylphosphonium tetrafluoroborate,1-ethoxycarbonyl cyclopropyl triphenylphosphonium tetrafluoroborate,1-ethoxycarbonylcyclopropyl triphenylphosphonium tetrafluoroborate,1-ethoxycarbonyl cyclopropyl tris phenyl phosphonium tetrafluoroborate,1-ethoxycarbonyl cyclopropyl triphenylphosphanium tetrafluoroborate,acmc-20aowe,1-carboethoxycyclopropyl triphenylphosphonium tetrafluoroborate,1-carbethoxycyclopropyl tris phenyl phosphonium tetrafluoroborate,1-ethoxycarbonylcyclopropyl-triphenyl-phosphanium tetrafluoroborate,1-ethoxycarbonylcyclopropyl-triphenyl-phosphonium tetrafluoroborate PubChem CID: 11016017 SMILES: F[B-](F)(F)F.CCOC(=O)C1(CC1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11016017 |
|---|---|
| CAS | 52186-89-7 |
| Molecular Weight (g/mol) | 462.23 |
| MDL Number | MFCD00051879 |
| SMILES | F[B-](F)(F)F.CCOC(=O)C1(CC1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1-carbethoxycyclopropyltriphenylphosphonium tetrafluoroborate,1-ethoxycarbonyl cyclopropyl triphenylphosphonium tetrafluoroborate,1-ethoxycarbonylcyclopropyl triphenylphosphonium tetrafluoroborate,1-ethoxycarbonyl cyclopropyl tris phenyl phosphonium tetrafluoroborate,1-ethoxycarbonyl cyclopropyl triphenylphosphanium tetrafluoroborate,acmc-20aowe,1-carboethoxycyclopropyl triphenylphosphonium tetrafluoroborate,1-carbethoxycyclopropyl tris phenyl phosphonium tetrafluoroborate,1-ethoxycarbonylcyclopropyl-triphenyl-phosphanium tetrafluoroborate,1-ethoxycarbonylcyclopropyl-triphenyl-phosphonium tetrafluoroborate |
| InChI Key | RGJYRMUGSAFITK-UHFFFAOYSA-N |
| Molecular Formula | C24H24BF4O2P |
3-Fluorobenzyl bromide, 95%
CAS: 456-41-7 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00000340 InChI Key: SCBZBMXPJYMXRC-UHFFFAOYSA-N Synonym: 3-fluorobenzyl bromide,1-bromomethyl-3-fluorobenzene,3-fluorobenzylbromide,m-fluorobenzyl bromide,benzene, 1-bromomethyl-3-fluoro,m-fluorobenzylbromide,alpha-bromo-m-fluorotoluene,alpha-bromo-3-fluorotoluene,toluene, .alpha.-bromo-m-fluoro,1-bromobenzyl-3-fluorobenzene PubChem CID: 68007 IUPAC Name: 1-(bromomethyl)-3-fluorobenzene SMILES: C1=CC(=CC(=C1)F)CBr
| PubChem CID | 68007 |
|---|---|
| CAS | 456-41-7 |
| Molecular Weight (g/mol) | 189.027 |
| MDL Number | MFCD00000340 |
| SMILES | C1=CC(=CC(=C1)F)CBr |
| Synonym | 3-fluorobenzyl bromide,1-bromomethyl-3-fluorobenzene,3-fluorobenzylbromide,m-fluorobenzyl bromide,benzene, 1-bromomethyl-3-fluoro,m-fluorobenzylbromide,alpha-bromo-m-fluorotoluene,alpha-bromo-3-fluorotoluene,toluene, .alpha.-bromo-m-fluoro,1-bromobenzyl-3-fluorobenzene |
| IUPAC Name | 1-(bromomethyl)-3-fluorobenzene |
| InChI Key | SCBZBMXPJYMXRC-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
5-Hydroxy-2-nitrobenzoic acid, Thermo Scientific™
CAS: 610-37-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017566 InChI Key: BUHKQTKKZAXSMH-UHFFFAOYSA-N PubChem CID: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
| PubChem CID | 11882 |
|---|---|
| CAS | 610-37-7 |
| Molecular Weight (g/mol) | 183.119 |
| MDL Number | MFCD00017566 |
| SMILES | C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-] |
| InChI Key | BUHKQTKKZAXSMH-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO5 |
4-Bromo-2-nitrobenzoic acid, 97%
CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
| PubChem CID | 3774467 |
|---|---|
| CAS | 99277-71-1 |
| Molecular Weight (g/mol) | 245.01 |
| MDL Number | MFCD01013599 |
| SMILES | [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O |
| Synonym | 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- |
| IUPAC Name | 4-bromo-2-nitrobenzoate |
| InChI Key | ZIRHHEZLJGORGU-UHFFFAOYSA-M |
| Molecular Formula | C7H3BrNO4 |
Methyl 2-aminopyridine-4-carboxylate, 98%
CAS: 6937-03-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039316 InChI Key: SVWWNEYBEFASMP-UHFFFAOYSA-N IUPAC Name: methyl 2-aminopyridine-4-carboxylate
| CAS | 6937-03-7 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD04039316 |
| IUPAC Name | methyl 2-aminopyridine-4-carboxylate |
| InChI Key | SVWWNEYBEFASMP-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
3,5-Bis(trifluoromethyl)benzeneboronic acid, 95%, Thermo Scientific Chemicals
CAS: 73852-19-4 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.93 MDL Number: MFCD00051850 InChI Key: BPTABBGLHGBJQR-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol PubChem CID: 156265 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 156265 |
|---|---|
| CAS | 73852-19-4 |
| Molecular Weight (g/mol) | 257.93 |
| MDL Number | MFCD00051850 |
| SMILES | OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol |
| IUPAC Name | [3,5-bis(trifluoromethyl)phenyl]boronic acid |
| InChI Key | BPTABBGLHGBJQR-UHFFFAOYSA-N |
| Molecular Formula | C8H5BF6O2 |
4-Iodoanisole, 98%
CAS: 696-62-8 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.04 InChI Key: SYSZENVIJHPFNL-UHFFFAOYSA-N Synonym: 4-iodoanisole,p-iodoanisole,benzene, 1-iodo-4-methoxy,isoform,4-methoxyiodobenzene,p-methoxyiodobenzene,anisole, p-iodo,4-iodomethoxybenzene,p-iodophenyl methyl ether,1-iodo-4-methoxy-benzene PubChem CID: 69676 IUPAC Name: 1-iodo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)I
| PubChem CID | 69676 |
|---|---|
| CAS | 696-62-8 |
| Molecular Weight (g/mol) | 234.04 |
| SMILES | COC1=CC=C(C=C1)I |
| Synonym | 4-iodoanisole,p-iodoanisole,benzene, 1-iodo-4-methoxy,isoform,4-methoxyiodobenzene,p-methoxyiodobenzene,anisole, p-iodo,4-iodomethoxybenzene,p-iodophenyl methyl ether,1-iodo-4-methoxy-benzene |
| IUPAC Name | 1-iodo-4-methoxybenzene |
| InChI Key | SYSZENVIJHPFNL-UHFFFAOYSA-N |
| Molecular Formula | C7H7IO |
5-Methoxy-2-nitrobenzoic acid, 97%
CAS: 1882-69-5 Molecular Formula: C8H6NO5 Molecular Weight (g/mol): 196.14 MDL Number: MFCD00151836 InChI Key: URADKXVAIGMTEG-UHFFFAOYSA-M Synonym: 5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid PubChem CID: 339209 IUPAC Name: 5-methoxy-2-nitrobenzoate SMILES: COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O
| PubChem CID | 339209 |
|---|---|
| CAS | 1882-69-5 |
| Molecular Weight (g/mol) | 196.14 |
| MDL Number | MFCD00151836 |
| SMILES | COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O |
| Synonym | 5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid |
| IUPAC Name | 5-methoxy-2-nitrobenzoate |
| InChI Key | URADKXVAIGMTEG-UHFFFAOYSA-M |
| Molecular Formula | C8H6NO5 |
Methyl phenylsulfonylacetate, 98%
CAS: 34097-60-4 Molecular Formula: C9H10O4S Molecular Weight (g/mol): 214.235 MDL Number: MFCD00007555 InChI Key: NLEAIFBNKPYTGN-UHFFFAOYSA-N PubChem CID: 555619 IUPAC Name: methyl 2-(benzenesulfonyl)acetate SMILES: COC(=O)CS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 555619 |
|---|---|
| CAS | 34097-60-4 |
| Molecular Weight (g/mol) | 214.235 |
| MDL Number | MFCD00007555 |
| SMILES | COC(=O)CS(=O)(=O)C1=CC=CC=C1 |
| IUPAC Name | methyl 2-(benzenesulfonyl)acetate |
| InChI Key | NLEAIFBNKPYTGN-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4S |
2-Hydroxy-3-methoxybenzoic acid, 98+%
CAS: 877-22-5 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002445 InChI Key: AUZQQIPZESHNMG-UHFFFAOYSA-N Synonym: 3-methoxysalicylic acid,o-vanillic acid,acide orthovanillique,benzoic acid, 2-hydroxy-3-methoxy,m-anisic acid, 2-hydroxy,3-hydroxy-m-anisic acid,unii-3j31y0e2im,2-hydroxy-3-methoxy-benzoic acid,3-methoxysalicyclic acid,2-hydroxy-3-methoxy benzoic acid PubChem CID: 70140 ChEBI: CHEBI:68496 IUPAC Name: 2-hydroxy-3-methoxybenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1O
| PubChem CID | 70140 |
|---|---|
| CAS | 877-22-5 |
| Molecular Weight (g/mol) | 168.15 |
| ChEBI | CHEBI:68496 |
| MDL Number | MFCD00002445 |
| SMILES | COC1=CC=CC(C(O)=O)=C1O |
| Synonym | 3-methoxysalicylic acid,o-vanillic acid,acide orthovanillique,benzoic acid, 2-hydroxy-3-methoxy,m-anisic acid, 2-hydroxy,3-hydroxy-m-anisic acid,unii-3j31y0e2im,2-hydroxy-3-methoxy-benzoic acid,3-methoxysalicyclic acid,2-hydroxy-3-methoxy benzoic acid |
| IUPAC Name | 2-hydroxy-3-methoxybenzoic acid |
| InChI Key | AUZQQIPZESHNMG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
4-Amino-2-(trifluoromethyl)benzonitrile, 97%
CAS: 654-70-6 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 MDL Number: MFCD00042155 InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile PubChem CID: 522170 IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C#N
| PubChem CID | 522170 |
|---|---|
| CAS | 654-70-6 |
| Molecular Weight (g/mol) | 186.137 |
| MDL Number | MFCD00042155 |
| SMILES | C1=CC(=C(C=C1N)C(F)(F)F)C#N |
| Synonym | 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile |
| IUPAC Name | 4-amino-2-(trifluoromethyl)benzonitrile |
| InChI Key | PMDYLCUKSLBUHO-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3N2 |