Benzene and substituted derivatives
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2-Nitrobenzaldehyde 99.0+%, TCI America™
CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007132 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
| PubChem CID | 11101 |
|---|---|
| CAS | 552-89-6 |
| Molecular Weight (g/mol) | 151.121 |
| ChEBI | CHEBI:66927 |
| MDL Number | MFCD00007132 |
| SMILES | C1=CC=C(C(=C1)C=O)[N+](=O)[O-] |
| Synonym | o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde |
| IUPAC Name | 2-nitrobenzaldehyde |
| InChI Key | CMWKITSNTDAEDT-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO3 |
Allyltriphenylphosphonium Bromide 98.0+%, TCI America™
CAS: 1560-54-9 Molecular Formula: C21H20BrP Molecular Weight (g/mol): 383.27 MDL Number: MFCD00011808 InChI Key: FWYKRJUVEOBFGH-UHFFFAOYSA-M Synonym: allyltriphenylphosphonium bromide,triphenyl allylphosphonium bromide,phosphonium, triphenyl-2-propenyl-, bromide,allyl triphenylphosphonium bromide,phosphonium, allyltriphenyl-, bromide,allyltriphenylphosphonium bromide tal,triphenyl prop-2-enyl phosphanium bromide,2-propenyltriphenylphosphonium bromide,triphenyl prop-2-en-1-yl phosphanium bromide,wln: 1u2pr&r&r &e PubChem CID: 197740 IUPAC Name: triphenyl(prop-2-en-1-yl)phosphanium bromide SMILES: [Br-].C=CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 197740 |
|---|---|
| CAS | 1560-54-9 |
| Molecular Weight (g/mol) | 383.27 |
| MDL Number | MFCD00011808 |
| SMILES | [Br-].C=CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | allyltriphenylphosphonium bromide,triphenyl allylphosphonium bromide,phosphonium, triphenyl-2-propenyl-, bromide,allyl triphenylphosphonium bromide,phosphonium, allyltriphenyl-, bromide,allyltriphenylphosphonium bromide tal,triphenyl prop-2-enyl phosphanium bromide,2-propenyltriphenylphosphonium bromide,triphenyl prop-2-en-1-yl phosphanium bromide,wln: 1u2pr&r&r &e |
| IUPAC Name | triphenyl(prop-2-en-1-yl)phosphanium bromide |
| InChI Key | FWYKRJUVEOBFGH-UHFFFAOYSA-M |
| Molecular Formula | C21H20BrP |
2,3,4,6-Tetrafluorobenzyl Alcohol 98.0+%, TCI America™
CAS: 53001-70-0 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD03701105 InChI Key: BXLQTYVTBJQPPZ-UHFFFAOYSA-N PubChem CID: 17750859 IUPAC Name: (2,3,4,6-tetrafluorophenyl)methanol SMILES: OCC1=C(F)C=C(F)C(F)=C1F
| PubChem CID | 17750859 |
|---|---|
| CAS | 53001-70-0 |
| Molecular Weight (g/mol) | 180.10 |
| MDL Number | MFCD03701105 |
| SMILES | OCC1=C(F)C=C(F)C(F)=C1F |
| IUPAC Name | (2,3,4,6-tetrafluorophenyl)methanol |
| InChI Key | BXLQTYVTBJQPPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O |
4-Aminodiphenylmethane 97.0+%, TCI America™
CAS: 1135-12-2 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.254 MDL Number: MFCD00047861 InChI Key: WDTRNCFZFQIWLM-UHFFFAOYSA-N Synonym: 4-aminodiphenylmethane,benzenamine, 4-phenylmethyl,4-benzyl-phenylamine,4-benzylbenzenamine,4-benzylphenylamine,4-benzylaniline, hcl,4-benzyl aniline,4-benzyl-aniline,#,p-aminodiphenylmethan PubChem CID: 136914 IUPAC Name: 4-benzylaniline SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)N
| PubChem CID | 136914 |
|---|---|
| CAS | 1135-12-2 |
| Molecular Weight (g/mol) | 183.254 |
| MDL Number | MFCD00047861 |
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)N |
| Synonym | 4-aminodiphenylmethane,benzenamine, 4-phenylmethyl,4-benzyl-phenylamine,4-benzylbenzenamine,4-benzylphenylamine,4-benzylaniline, hcl,4-benzyl aniline,4-benzyl-aniline,#,p-aminodiphenylmethan |
| IUPAC Name | 4-benzylaniline |
| InChI Key | WDTRNCFZFQIWLM-UHFFFAOYSA-N |
| Molecular Formula | C13H13N |
Methyl 2-Fluorobenzoate 98.0+%, TCI America™
CAS: 394-35-4 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00017913 InChI Key: QAFJIJWLEBLXHH-UHFFFAOYSA-N Synonym: methyl o-fluorobenzoate,methyl-2-fluorobenzoate,2-fluorobenzoic acid methyl ester,benzoic acid, 2-fluoro-, methyl ester,o-fluorobenzoic acid, methyl ester,benzoic acid, o-fluoro-, methyl ester,2-fluoro-benzoic acid methyl ester,methyl2-fluorobenzoate,pubchem3565,acmc-209j5e PubChem CID: 67854 IUPAC Name: methyl 2-fluorobenzoate SMILES: COC(=O)C1=CC=CC=C1F
| PubChem CID | 67854 |
|---|---|
| CAS | 394-35-4 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00017913 |
| SMILES | COC(=O)C1=CC=CC=C1F |
| Synonym | methyl o-fluorobenzoate,methyl-2-fluorobenzoate,2-fluorobenzoic acid methyl ester,benzoic acid, 2-fluoro-, methyl ester,o-fluorobenzoic acid, methyl ester,benzoic acid, o-fluoro-, methyl ester,2-fluoro-benzoic acid methyl ester,methyl2-fluorobenzoate,pubchem3565,acmc-209j5e |
| IUPAC Name | methyl 2-fluorobenzoate |
| InChI Key | QAFJIJWLEBLXHH-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
(Difluoromethoxy)benzene 98.0+%, TCI America™
CAS: 458-92-4 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.12 MDL Number: MFCD00068184 InChI Key: LMVBQQAXGZVBFH-UHFFFAOYSA-N Synonym: alpha,alpha-Difluoroanisole PubChem CID: 68015 IUPAC Name: (difluoromethoxy)benzene SMILES: FC(F)OC1=CC=CC=C1
| PubChem CID | 68015 |
|---|---|
| CAS | 458-92-4 |
| Molecular Weight (g/mol) | 144.12 |
| MDL Number | MFCD00068184 |
| SMILES | FC(F)OC1=CC=CC=C1 |
| Synonym | alpha,alpha-Difluoroanisole |
| IUPAC Name | (difluoromethoxy)benzene |
| InChI Key | LMVBQQAXGZVBFH-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2O |
trans-1,2-Dibenzoylethylene 98.0+%, TCI America™
CAS: 959-28-4 Molecular Formula: C16H12O2 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00003083 InChI Key: WYCXGQSQHAXLPK-VAWYXSNFSA-N Synonym: trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene PubChem CID: 735960 IUPAC Name: (E)-1,4-diphenylbut-2-ene-1,4-dione SMILES: C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2
| PubChem CID | 735960 |
|---|---|
| CAS | 959-28-4 |
| Molecular Weight (g/mol) | 236.27 |
| MDL Number | MFCD00003083 |
| SMILES | C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2 |
| Synonym | trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene |
| IUPAC Name | (E)-1,4-diphenylbut-2-ene-1,4-dione |
| InChI Key | WYCXGQSQHAXLPK-VAWYXSNFSA-N |
| Molecular Formula | C16H12O2 |
p-Tolyl Trifluoromethanesulfonate 95.0+%, TCI America™
CAS: 29540-83-8 Molecular Formula: C8H7F3O3S Molecular Weight (g/mol): 240.196 MDL Number: MFCD00192507 InChI Key: XXSBXVHIYGQWDV-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid p-Tolyl Ester, p-Tolyl Triflate, 4-Methylphenyl Trifluoromethanesulfonate PubChem CID: 572481 IUPAC Name: (4-methylphenyl) trifluoromethanesulfonate SMILES: CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
| PubChem CID | 572481 |
|---|---|
| CAS | 29540-83-8 |
| Molecular Weight (g/mol) | 240.196 |
| MDL Number | MFCD00192507 |
| SMILES | CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F |
| Synonym | Trifluoromethanesulfonic Acid p-Tolyl Ester, p-Tolyl Triflate, 4-Methylphenyl Trifluoromethanesulfonate |
| IUPAC Name | (4-methylphenyl) trifluoromethanesulfonate |
| InChI Key | XXSBXVHIYGQWDV-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O3S |
2-Fluoro-4,5-dimethoxybenzonitrile 98.0+%, TCI America™
CAS: 119396-88-2 Molecular Formula: C9H8FNO2 Molecular Weight (g/mol): 181.166 MDL Number: MFCD00143236 InChI Key: QZKGCLSVCWWARO-UHFFFAOYSA-N Synonym: 4-Cyano-5-fluoroveratrole PubChem CID: 2774258 IUPAC Name: 2-fluoro-4,5-dimethoxybenzonitrile SMILES: COC1=C(C=C(C(=C1)C#N)F)OC
| PubChem CID | 2774258 |
|---|---|
| CAS | 119396-88-2 |
| Molecular Weight (g/mol) | 181.166 |
| MDL Number | MFCD00143236 |
| SMILES | COC1=C(C=C(C(=C1)C#N)F)OC |
| Synonym | 4-Cyano-5-fluoroveratrole |
| IUPAC Name | 2-fluoro-4,5-dimethoxybenzonitrile |
| InChI Key | QZKGCLSVCWWARO-UHFFFAOYSA-N |
| Molecular Formula | C9H8FNO2 |
2,4-Dimethoxyaniline 98.0+%, TCI America™
CAS: 2735-04-8 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008371 InChI Key: GEQNZVKIDIPGCO-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dimethoxy,aniline, 2,4-dimethoxy,2,4-dimethoxyphenylamine,unii-i079354gsi,benzenamine, 2,4-dimethoxy-, hydrochloride,2,4-domethoxyaniline,2,4-dimethoxy-anilin,2, 4-dimethoxyaniline,2,4 dimethoxy aniline,2,4-dimethoxy aniline PubChem CID: 17652 IUPAC Name: 2,4-dimethoxyaniline SMILES: COC1=CC(=C(C=C1)N)OC
| PubChem CID | 17652 |
|---|---|
| CAS | 2735-04-8 |
| Molecular Weight (g/mol) | 153.18 |
| MDL Number | MFCD00008371 |
| SMILES | COC1=CC(=C(C=C1)N)OC |
| Synonym | benzenamine, 2,4-dimethoxy,aniline, 2,4-dimethoxy,2,4-dimethoxyphenylamine,unii-i079354gsi,benzenamine, 2,4-dimethoxy-, hydrochloride,2,4-domethoxyaniline,2,4-dimethoxy-anilin,2, 4-dimethoxyaniline,2,4 dimethoxy aniline,2,4-dimethoxy aniline |
| IUPAC Name | 2,4-dimethoxyaniline |
| InChI Key | GEQNZVKIDIPGCO-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
4-Bromo-2-fluorobenzonitrile 98.0+%, TCI America™
CAS: 105942-08-3 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD00143264 InChI Key: HGXWRDPQFZKOLZ-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzonitrile,4-bromo-2-fluoro-benzonitrile,benzonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorobenzenecarbonitrile,4-cyano-3-fluorobromobenzene,pubchem3221,2-floro-4-bromobenzonitrile,4-bromo-2-fluorobenzontrile,4-bromo-6-fluorobenzonitrile,ksc490q4t PubChem CID: 736029 IUPAC Name: 4-bromo-2-fluorobenzonitrile SMILES: FC1=CC(Br)=CC=C1C#N
| PubChem CID | 736029 |
|---|---|
| CAS | 105942-08-3 |
| Molecular Weight (g/mol) | 200.01 |
| MDL Number | MFCD00143264 |
| SMILES | FC1=CC(Br)=CC=C1C#N |
| Synonym | 2-fluoro-4-bromobenzonitrile,4-bromo-2-fluoro-benzonitrile,benzonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorobenzenecarbonitrile,4-cyano-3-fluorobromobenzene,pubchem3221,2-floro-4-bromobenzonitrile,4-bromo-2-fluorobenzontrile,4-bromo-6-fluorobenzonitrile,ksc490q4t |
| IUPAC Name | 4-bromo-2-fluorobenzonitrile |
| InChI Key | HGXWRDPQFZKOLZ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrFN |
3-Chloro-2-fluorobenzyl Bromide 96.0+%, TCI America™
CAS: 85070-47-9 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD00042503 InChI Key: HYILLTADABKYHO-UHFFFAOYSA-N Synonym: 3-chloro-2-fluorobenzyl bromide,1-bromomethyl-3-chloro-2-fluorobenzene,2-fluoro-3-chlorobenzyl bromide,3-chloro-2-fluorobenzylbromide,3-chloro-2-fluoro benzyl bromide,alpha-bromo-3-chloro-2-fluorotoluene,alpha-bromo-2-fluoro-3-chlorotoluene,benzene, 1-bromomethyl-3-chloro-2-fluoro,1-bromomethyl-3-chloro-2-fluoro-benzene PubChem CID: 522827 IUPAC Name: 1-(bromomethyl)-3-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC=C1CBr
| PubChem CID | 522827 |
|---|---|
| CAS | 85070-47-9 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD00042503 |
| SMILES | FC1=C(Cl)C=CC=C1CBr |
| Synonym | 3-chloro-2-fluorobenzyl bromide,1-bromomethyl-3-chloro-2-fluorobenzene,2-fluoro-3-chlorobenzyl bromide,3-chloro-2-fluorobenzylbromide,3-chloro-2-fluoro benzyl bromide,alpha-bromo-3-chloro-2-fluorotoluene,alpha-bromo-2-fluoro-3-chlorotoluene,benzene, 1-bromomethyl-3-chloro-2-fluoro,1-bromomethyl-3-chloro-2-fluoro-benzene |
| IUPAC Name | 1-(bromomethyl)-3-chloro-2-fluorobenzene |
| InChI Key | HYILLTADABKYHO-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |
2,4,6-Triisopropylbenzenesulfonyl Azide (wetted with ca. 10% Water) (unit weight on dry weight basis) 98.0+%, TCI America™
CAS: 36982-84-0 Molecular Formula: C15H23N3O2S Molecular Weight (g/mol): 309.428 MDL Number: MFCD00859286 InChI Key: AEMWUHCKKDPRSK-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzenesulfonyl azide,2,4,6-triisopropylbenzene-sulfonyl azide,trisyl azide,2,4,6-triisopropylbenzene-sulfonyl azide,,benzenesulfonyl azide, 2,4,6-tris 1-methylethyl,2,4,6-triisopropyl-benzenesulfonyl azide,n-diazo-2,4,6-triisopropyl-benzenesulfonamide,2,4,6-tris 1-methylethyl-benzenesulfonyl azide,2,4,6-triisopropylbenzenesulfonyl azide, stab. with ca water,trisyl azide solution PubChem CID: 371707 IUPAC Name: N-diazo-2,4,6-tri(propan-2-yl)benzenesulfonamide SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N=[N+]=[N-])C(C)C
| PubChem CID | 371707 |
|---|---|
| CAS | 36982-84-0 |
| Molecular Weight (g/mol) | 309.428 |
| MDL Number | MFCD00859286 |
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N=[N+]=[N-])C(C)C |
| Synonym | 2,4,6-triisopropylbenzenesulfonyl azide,2,4,6-triisopropylbenzene-sulfonyl azide,trisyl azide,2,4,6-triisopropylbenzene-sulfonyl azide,,benzenesulfonyl azide, 2,4,6-tris 1-methylethyl,2,4,6-triisopropyl-benzenesulfonyl azide,n-diazo-2,4,6-triisopropyl-benzenesulfonamide,2,4,6-tris 1-methylethyl-benzenesulfonyl azide,2,4,6-triisopropylbenzenesulfonyl azide, stab. with ca water,trisyl azide solution |
| IUPAC Name | N-diazo-2,4,6-tri(propan-2-yl)benzenesulfonamide |
| InChI Key | AEMWUHCKKDPRSK-UHFFFAOYSA-N |
| Molecular Formula | C15H23N3O2S |
3-Bromobenzonitrile 98.0+%, TCI America™
CAS: 6952-59-6 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001796 InChI Key: STXAVEHFKAXGOX-UHFFFAOYSA-N Synonym: m-bromobenzonitrile,benzonitrile, 3-bromo,benzonitrile, m-bromo,3-cyanobromobenzene,1-bromo-3-cyanobenzene,3-bromobenzenecarbonitrile,3-bromo benzonitrile,3-bromobenzonitride,m-brombenzonitril,3-brombenzonitrile PubChem CID: 23381 IUPAC Name: 3-bromobenzonitrile SMILES: BrC1=CC=CC(=C1)C#N
| PubChem CID | 23381 |
|---|---|
| CAS | 6952-59-6 |
| Molecular Weight (g/mol) | 182.02 |
| MDL Number | MFCD00001796 |
| SMILES | BrC1=CC=CC(=C1)C#N |
| Synonym | m-bromobenzonitrile,benzonitrile, 3-bromo,benzonitrile, m-bromo,3-cyanobromobenzene,1-bromo-3-cyanobenzene,3-bromobenzenecarbonitrile,3-bromo benzonitrile,3-bromobenzonitride,m-brombenzonitril,3-brombenzonitrile |
| IUPAC Name | 3-bromobenzonitrile |
| InChI Key | STXAVEHFKAXGOX-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrN |
Tetraethylene Glycol Monobenzyl Ether 95.0+%, TCI America™
CAS: 86259-87-2 Molecular Formula: C15H24O5 Molecular Weight (g/mol): 284.35 MDL Number: MFCD06797175 InChI Key: QDPIVUQXPXUNLN-UHFFFAOYSA-N Synonym: 2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethanol PubChem CID: 11076957 IUPAC Name: 1-phenyl-2,5,8,11-tetraoxatridecan-13-ol SMILES: OCCOCCOCCOCCOCC1=CC=CC=C1
| PubChem CID | 11076957 |
|---|---|
| CAS | 86259-87-2 |
| Molecular Weight (g/mol) | 284.35 |
| MDL Number | MFCD06797175 |
| SMILES | OCCOCCOCCOCCOCC1=CC=CC=C1 |
| Synonym | 2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethanol |
| IUPAC Name | 1-phenyl-2,5,8,11-tetraoxatridecan-13-ol |
| InChI Key | QDPIVUQXPXUNLN-UHFFFAOYSA-N |
| Molecular Formula | C15H24O5 |