Benzene and substituted derivatives
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Benzyl benzoate, 99+%
CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N Synonym: ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate PubChem CID: 2345 ChEBI: CHEBI:41237 IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2345 |
|---|---|
| CAS | 120-51-4 |
| Molecular Weight (g/mol) | 212.25 |
| ChEBI | CHEBI:41237 |
| MDL Number | MFCD00003075 |
| SMILES | O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate |
| IUPAC Name | benzyl benzoate |
| InChI Key | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
4-Benzyloxy-3-methoxybenzaldehyde, 98%
CAS: 2426-87-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00003365 InChI Key: JSHLOPGSDZTEGQ-UHFFFAOYSA-N Synonym: 4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde PubChem CID: 75506 IUPAC Name: 3-methoxy-4-phenylmethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1
| PubChem CID | 75506 |
|---|---|
| CAS | 2426-87-1 |
| Molecular Weight (g/mol) | 242.27 |
| MDL Number | MFCD00003365 |
| SMILES | COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1 |
| Synonym | 4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde |
| IUPAC Name | 3-methoxy-4-phenylmethoxybenzaldehyde |
| InChI Key | JSHLOPGSDZTEGQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
4-Hydroxy-3-methoxybenzyl alcohol, 99%
CAS: 498-00-0 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00004659 InChI Key: ZENOXNGFMSCLLL-UHFFFAOYSA-N Synonym: vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol PubChem CID: 62348 ChEBI: CHEBI:18353 IUPAC Name: 4-(hydroxymethyl)-2-methoxyphenol SMILES: COC1=CC(CO)=CC=C1O
| PubChem CID | 62348 |
|---|---|
| CAS | 498-00-0 |
| Molecular Weight (g/mol) | 154.17 |
| ChEBI | CHEBI:18353 |
| MDL Number | MFCD00004659 |
| SMILES | COC1=CC(CO)=CC=C1O |
| Synonym | vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol |
| IUPAC Name | 4-(hydroxymethyl)-2-methoxyphenol |
| InChI Key | ZENOXNGFMSCLLL-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3 |
2-Iodobenzoyl chloride, 98%
CAS: 609-67-6 Molecular Formula: C7H4ClIO Molecular Weight (g/mol): 266.462 MDL Number: MFCD00001040 InChI Key: MVIVDSWUOGNODP-UHFFFAOYSA-N PubChem CID: 69112 IUPAC Name: 2-iodobenzoyl chloride SMILES: C1=CC=C(C(=C1)C(=O)Cl)I
| PubChem CID | 69112 |
|---|---|
| CAS | 609-67-6 |
| Molecular Weight (g/mol) | 266.462 |
| MDL Number | MFCD00001040 |
| SMILES | C1=CC=C(C(=C1)C(=O)Cl)I |
| IUPAC Name | 2-iodobenzoyl chloride |
| InChI Key | MVIVDSWUOGNODP-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClIO |
4-Methoxy-2-nitroaniline, 99%
CAS: 96-96-8 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.152 MDL Number: MFCD00007152 InChI Key: QFMJFXFXQAFGBO-UHFFFAOYSA-N Synonym: 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt PubChem CID: 66793 ChEBI: CHEBI:48973 IUPAC Name: 4-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)N)[N+](=O)[O-]
| PubChem CID | 66793 |
|---|---|
| CAS | 96-96-8 |
| Molecular Weight (g/mol) | 168.152 |
| ChEBI | CHEBI:48973 |
| MDL Number | MFCD00007152 |
| SMILES | COC1=CC(=C(C=C1)N)[N+](=O)[O-] |
| Synonym | 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt |
| IUPAC Name | 4-methoxy-2-nitroaniline |
| InChI Key | QFMJFXFXQAFGBO-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3 |
3-Fluoroaniline, 98+%
CAS: 372-19-0 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.119 MDL Number: MFCD00007758 InChI Key: QZVQQUVWFIZUBQ-UHFFFAOYSA-N Synonym: m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech PubChem CID: 9742 ChEBI: CHEBI:27873 IUPAC Name: 3-fluoroaniline SMILES: C1=CC(=CC(=C1)F)N
| PubChem CID | 9742 |
|---|---|
| CAS | 372-19-0 |
| Molecular Weight (g/mol) | 111.119 |
| ChEBI | CHEBI:27873 |
| MDL Number | MFCD00007758 |
| SMILES | C1=CC(=CC(=C1)F)N |
| Synonym | m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech |
| IUPAC Name | 3-fluoroaniline |
| InChI Key | QZVQQUVWFIZUBQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
2,5-Difluorobenzylamine, 97%
CAS: 85118-06-5 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00010143 InChI Key: GDFBHCMFIUBEQT-UHFFFAOYSA-N Synonym: 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p PubChem CID: 123589 IUPAC Name: (2,5-difluorophenyl)methanamine SMILES: NCC1=CC(F)=CC=C1F
| PubChem CID | 123589 |
|---|---|
| CAS | 85118-06-5 |
| Molecular Weight (g/mol) | 143.14 |
| MDL Number | MFCD00010143 |
| SMILES | NCC1=CC(F)=CC=C1F |
| Synonym | 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p |
| IUPAC Name | (2,5-difluorophenyl)methanamine |
| InChI Key | GDFBHCMFIUBEQT-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2N |
2-Fluorobenzylamine, 96%
CAS: 89-99-6 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00008107 InChI Key: LRFWYBZWRQWZIM-UHFFFAOYSA-N Synonym: 2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine PubChem CID: 66649 IUPAC Name: (2-fluorophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)F
| PubChem CID | 66649 |
|---|---|
| CAS | 89-99-6 |
| Molecular Weight (g/mol) | 125.15 |
| MDL Number | MFCD00008107 |
| SMILES | C1=CC=C(C(=C1)CN)F |
| Synonym | 2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine |
| IUPAC Name | (2-fluorophenyl)methanamine |
| InChI Key | LRFWYBZWRQWZIM-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
3,4-Dimethoxybenzoic acid, 99+%
CAS: 93-07-2 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002500 InChI Key: DAUAQNGYDSHRET-UHFFFAOYSA-N Synonym: veratric acid,benzoic acid, 3,4-dimethoxy,dimethylprotocatechuic acid,veratrylic acid,3,4-dimethylprotocatechuic acid,veratrumenoic acid,3,4-dimethoxy-benzoic acid,unii-1yy04e7rr4,3,4-dimethoxybenzoes PubChem CID: 7121 ChEBI: CHEBI:296881 IUPAC Name: 3,4-dimethoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)OC
| PubChem CID | 7121 |
|---|---|
| CAS | 93-07-2 |
| Molecular Weight (g/mol) | 182.175 |
| ChEBI | CHEBI:296881 |
| MDL Number | MFCD00002500 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)OC |
| Synonym | veratric acid,benzoic acid, 3,4-dimethoxy,dimethylprotocatechuic acid,veratrylic acid,3,4-dimethylprotocatechuic acid,veratrumenoic acid,3,4-dimethoxy-benzoic acid,unii-1yy04e7rr4,3,4-dimethoxybenzoes |
| IUPAC Name | 3,4-dimethoxybenzoic acid |
| InChI Key | DAUAQNGYDSHRET-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
2,4-Dinitrophenylhydrazine Hydrochloride 98.0+%, TCI America™
CAS: 55907-61-4 Molecular Formula: C6H7ClN4O4 Molecular Weight (g/mol): 234.60 MDL Number: MFCD00050688 InChI Key: PUYFAZQODQZOFK-UHFFFAOYSA-N PubChem CID: 5463312 IUPAC Name: hydrogen (2,4-dinitrophenyl)hydrazine chloride SMILES: [H+].[Cl-].NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 5463312 |
|---|---|
| CAS | 55907-61-4 |
| Molecular Weight (g/mol) | 234.60 |
| MDL Number | MFCD00050688 |
| SMILES | [H+].[Cl-].NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| IUPAC Name | hydrogen (2,4-dinitrophenyl)hydrazine chloride |
| InChI Key | PUYFAZQODQZOFK-UHFFFAOYSA-N |
| Molecular Formula | C6H7ClN4O4 |
Styrene, 99.5%, for analysis, stabilized
CAS: 100-42-5 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00008612,MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: styrene SMILES: C=CC1=CC=CC=C1
| PubChem CID | 7501 |
|---|---|
| CAS | 100-42-5 |
| Molecular Weight (g/mol) | 104.15 |
| ChEBI | CHEBI:27452 |
| MDL Number | MFCD00008612,MFCD00084450 |
| SMILES | C=CC1=CC=CC=C1 |
| Synonym | ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene |
| IUPAC Name | styrene |
| InChI Key | PPBRXRYQALVLMV-UHFFFAOYSA-N |
| Molecular Formula | C8H8 |
2-Aminoterephthalic acid, 98.5%, Thermo Scientific Chemicals
CAS: 10312-55-7 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-L Synonym: aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 PubChem CID: 2724822 IUPAC Name: 2-aminoterephthalic acid SMILES: NC1=CC(=CC=C1C([O-])=O)C([O-])=O
| PubChem CID | 2724822 |
|---|---|
| CAS | 10312-55-7 |
| Molecular Weight (g/mol) | 179.13 |
| MDL Number | MFCD00134536 |
| SMILES | NC1=CC(=CC=C1C([O-])=O)C([O-])=O |
| Synonym | aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 |
| IUPAC Name | 2-aminoterephthalic acid |
| InChI Key | GPNNOCMCNFXRAO-UHFFFAOYSA-L |
| Molecular Formula | C8H5NO4 |
2,6-Diisopropylaniline, 90+%
CAS: 24544-04-5 Molecular Formula: C12H19N Molecular Weight (g/mol): 177.291 MDL Number: MFCD00008887 InChI Key: WKBALTUBRZPIPZ-UHFFFAOYSA-N Synonym: 2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline PubChem CID: 32484 IUPAC Name: 2,6-di(propan-2-yl)aniline SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N
| PubChem CID | 32484 |
|---|---|
| CAS | 24544-04-5 |
| Molecular Weight (g/mol) | 177.291 |
| MDL Number | MFCD00008887 |
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)N |
| Synonym | 2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline |
| IUPAC Name | 2,6-di(propan-2-yl)aniline |
| InChI Key | WKBALTUBRZPIPZ-UHFFFAOYSA-N |
| Molecular Formula | C12H19N |
3-Fluoroaniline, 98%
CAS: 372-19-0 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007758 InChI Key: QZVQQUVWFIZUBQ-UHFFFAOYSA-N Synonym: m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech PubChem CID: 9742 ChEBI: CHEBI:27873 IUPAC Name: 3-fluoroaniline SMILES: C1=CC(=CC(=C1)F)N
| PubChem CID | 9742 |
|---|---|
| CAS | 372-19-0 |
| Molecular Weight (g/mol) | 111.12 |
| ChEBI | CHEBI:27873 |
| MDL Number | MFCD00007758 |
| SMILES | C1=CC(=CC(=C1)F)N |
| Synonym | m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech |
| IUPAC Name | 3-fluoroaniline |
| InChI Key | QZVQQUVWFIZUBQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
2-Chloro-3-nitrobenzoic acid, 98%
CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
| PubChem CID | 19870 |
|---|---|
| CAS | 3970-35-2 |
| Molecular Weight (g/mol) | 201.57 |
| MDL Number | MFCD00007069 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O |
| Synonym | 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid |
| InChI Key | JRQDVRIQJJPHEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO4 |