Benzene and substituted derivatives
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Tetraphenylphosphonium Bromide 98.0+%, TCI America™
CAS: 2751-90-8 Molecular Formula: C24H20BrP Molecular Weight (g/mol): 419.30 MDL Number: MFCD00011915 InChI Key: BRKFQVAOMSWFDU-UHFFFAOYSA-M Synonym: tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide PubChem CID: 2724163 IUPAC Name: tetraphenylphosphanium bromide SMILES: [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724163 |
|---|---|
| CAS | 2751-90-8 |
| Molecular Weight (g/mol) | 419.30 |
| MDL Number | MFCD00011915 |
| SMILES | [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide |
| IUPAC Name | tetraphenylphosphanium bromide |
| InChI Key | BRKFQVAOMSWFDU-UHFFFAOYSA-M |
| Molecular Formula | C24H20BrP |
tert-Butyl (Triphenylphosphoranylidene)carbamate 98.0+%, TCI America™
CAS: 68014-21-1 Molecular Formula: C23H24NO2P Molecular Weight (g/mol): 377.424 MDL Number: MFCD00798174 InChI Key: KNXPVXCUELYHDM-UHFFFAOYSA-N Synonym: (Triphenylphosphoranylidene)carbamic Acid tert-Butyl Ester, N-(tert-Butoxycarbonyl)imino(triphenyl)phosphorane, N-Boc-imino(triphenyl)phosphorane PubChem CID: 2756802 IUPAC Name: tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate SMILES: CC(C)(C)OC(=O)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 2756802 |
|---|---|
| CAS | 68014-21-1 |
| Molecular Weight (g/mol) | 377.424 |
| MDL Number | MFCD00798174 |
| SMILES | CC(C)(C)OC(=O)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | (Triphenylphosphoranylidene)carbamic Acid tert-Butyl Ester, N-(tert-Butoxycarbonyl)imino(triphenyl)phosphorane, N-Boc-imino(triphenyl)phosphorane |
| IUPAC Name | tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate |
| InChI Key | KNXPVXCUELYHDM-UHFFFAOYSA-N |
| Molecular Formula | C23H24NO2P |
(3-Carboxypropyl)triphenylphosphonium Bromide 95.0+%, TCI America™
CAS: 17857-14-6 Molecular Formula: C22H22BrO2P Molecular Weight (g/mol): 429.29 MDL Number: MFCD00274196 InChI Key: NKVJKVMGJABKHV-UHFFFAOYSA-N Synonym: 3-carboxypropyltriphenylphosphonium bromide,3-carboxypropyl triphenylphosphonium bromide,3-carboxypropyl triphenylphosphanium bromide,carboxypropyltriphenylphosphoniumbromide,phosphonium, 3-carboxypropyl triphenyl-, bromide,4-hydroxy-4-oxobutyl triphenylphosphonium bromide,3-carboxypropyl triphenylphosphonium bromide 3-carboxypropyl triphenylphosphonium bromide,acmc-1bp1u,xfzdcviyhhhybq-uhfffaoysa-m PubChem CID: 10717451 IUPAC Name: (3-carboxypropyl)triphenylphosphanium bromide SMILES: [Br-].OC(=O)CCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 10717451 |
|---|---|
| CAS | 17857-14-6 |
| Molecular Weight (g/mol) | 429.29 |
| MDL Number | MFCD00274196 |
| SMILES | [Br-].OC(=O)CCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 3-carboxypropyltriphenylphosphonium bromide,3-carboxypropyl triphenylphosphonium bromide,3-carboxypropyl triphenylphosphanium bromide,carboxypropyltriphenylphosphoniumbromide,phosphonium, 3-carboxypropyl triphenyl-, bromide,4-hydroxy-4-oxobutyl triphenylphosphonium bromide,3-carboxypropyl triphenylphosphonium bromide 3-carboxypropyl triphenylphosphonium bromide,acmc-1bp1u,xfzdcviyhhhybq-uhfffaoysa-m |
| IUPAC Name | (3-carboxypropyl)triphenylphosphanium bromide |
| InChI Key | NKVJKVMGJABKHV-UHFFFAOYSA-N |
| Molecular Formula | C22H22BrO2P |
Diphenyl-1-pyrenylphosphine 95.0+%, TCI America™
CAS: 110231-30-6 Molecular Formula: C28H19P Molecular Weight (g/mol): 386.434 InChI Key: DSYGKYCYNVHCNQ-UHFFFAOYSA-N Synonym: 1-(Diphenylphosphino)pyrene, DPPP PubChem CID: 130626 IUPAC Name: diphenyl(pyren-1-yl)phosphane SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3
| PubChem CID | 130626 |
|---|---|
| CAS | 110231-30-6 |
| Molecular Weight (g/mol) | 386.434 |
| SMILES | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3 |
| Synonym | 1-(Diphenylphosphino)pyrene, DPPP |
| IUPAC Name | diphenyl(pyren-1-yl)phosphane |
| InChI Key | DSYGKYCYNVHCNQ-UHFFFAOYSA-N |
| Molecular Formula | C28H19P |
2,3-Difluorobenzoic Acid 98.0+%, TCI America™
CAS: 4519-39-5 Molecular Formula: C7H3F2O2 Molecular Weight (g/mol): 157.10 MDL Number: MFCD00010267 InChI Key: JLZVIWSFUPLSOR-UHFFFAOYSA-M Synonym: 2,3-difluoro-benzoic acid,benzoic acid, 2,3-difluoro,difluorobenzoic acid,difluorobenzoic acid;,pubchem1379,2,3 difluorobenzoic acid,acmc-209k0x,2,3-difluoro benzoic acid,2,3-difluorobenzoic acid;,ksc235o6t PubChem CID: 370590 IUPAC Name: 2,3-difluorobenzoate SMILES: [O-]C(=O)C1=CC=CC(F)=C1F
| PubChem CID | 370590 |
|---|---|
| CAS | 4519-39-5 |
| Molecular Weight (g/mol) | 157.10 |
| MDL Number | MFCD00010267 |
| SMILES | [O-]C(=O)C1=CC=CC(F)=C1F |
| Synonym | 2,3-difluoro-benzoic acid,benzoic acid, 2,3-difluoro,difluorobenzoic acid,difluorobenzoic acid;,pubchem1379,2,3 difluorobenzoic acid,acmc-209k0x,2,3-difluoro benzoic acid,2,3-difluorobenzoic acid;,ksc235o6t |
| IUPAC Name | 2,3-difluorobenzoate |
| InChI Key | JLZVIWSFUPLSOR-UHFFFAOYSA-M |
| Molecular Formula | C7H3F2O2 |
Methyl 4-Bromo-3-chlorobenzoate 96.0+%, TCI America™
CAS: 117738-74-6 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.49 MDL Number: MFCD11045619 InChI Key: BPJMNAWSHVKGHE-UHFFFAOYSA-N Synonym: 4-Bromo-3-chlorobenzoic Acid Methyl Ester PubChem CID: 22366763 IUPAC Name: methyl 4-bromo-3-chlorobenzoate SMILES: COC(=O)C1=CC(Cl)=C(Br)C=C1
| PubChem CID | 22366763 |
|---|---|
| CAS | 117738-74-6 |
| Molecular Weight (g/mol) | 249.49 |
| MDL Number | MFCD11045619 |
| SMILES | COC(=O)C1=CC(Cl)=C(Br)C=C1 |
| Synonym | 4-Bromo-3-chlorobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 4-bromo-3-chlorobenzoate |
| InChI Key | BPJMNAWSHVKGHE-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO2 |
Ethyl 2-Bromobenzoate 98.0+%, TCI America™
CAS: 6091-64-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00015443 InChI Key: BIHHBTVQFPVSTE-UHFFFAOYSA-N Synonym: 2-bromobenzoic acid ethyl ester,benzoic acid, 2-bromo-, ethyl ester,ethyl-2-bromobenzoate,ethyl2-bromobenzoate,ethyl bromobenzoate,ethyl o-bromobenzoate,pubchem3937,brombenzoesaureathylester,acmc-209mn8,ksc493o4r PubChem CID: 80186 IUPAC Name: ethyl 2-bromobenzoate SMILES: CCOC(=O)C1=CC=CC=C1Br
| PubChem CID | 80186 |
|---|---|
| CAS | 6091-64-1 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00015443 |
| SMILES | CCOC(=O)C1=CC=CC=C1Br |
| Synonym | 2-bromobenzoic acid ethyl ester,benzoic acid, 2-bromo-, ethyl ester,ethyl-2-bromobenzoate,ethyl2-bromobenzoate,ethyl bromobenzoate,ethyl o-bromobenzoate,pubchem3937,brombenzoesaureathylester,acmc-209mn8,ksc493o4r |
| IUPAC Name | ethyl 2-bromobenzoate |
| InChI Key | BIHHBTVQFPVSTE-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Methyl Pentafluorobenzoate 98.0+%, TCI America™
CAS: 36629-42-2 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.10 MDL Number: MFCD00012172 InChI Key: UXJRQNXHCZKHRJ-UHFFFAOYSA-N Synonym: methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester PubChem CID: 606853 IUPAC Name: methyl 2,3,4,5,6-pentafluorobenzoate SMILES: COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 606853 |
|---|---|
| CAS | 36629-42-2 |
| Molecular Weight (g/mol) | 226.10 |
| MDL Number | MFCD00012172 |
| SMILES | COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester |
| IUPAC Name | methyl 2,3,4,5,6-pentafluorobenzoate |
| InChI Key | UXJRQNXHCZKHRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O2 |
4-Fluorobenzoyl Chloride 97.0+%, TCI America™
CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F
| PubChem CID | 67879 |
|---|---|
| CAS | 403-43-0 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00000684 |
| SMILES | C1=CC(=CC=C1C(=O)Cl)F |
| Synonym | benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride |
| IUPAC Name | 4-fluorobenzoyl chloride |
| InChI Key | CZKLEJHVLCMVQR-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
2,3,5-Trifluorobenzoic Acid 98.0+%, TCI America™
CAS: 654-87-5 Molecular Formula: C7H3F3O2 Molecular Weight (g/mol): 176.09 MDL Number: MFCD00061200 InChI Key: CPZROMDDCPPFOO-UHFFFAOYSA-N Synonym: 2,3,5-trilfluorobenzoic acid,benzoic acid, 2,3,5-trifluoro,pubchem1401,acmc-209nr1,2,3,5-trifluorobenzoicacid,ksc622o6j,2,3,5-trifluoro-benzoic acid,rarechem al bo 0710,benzoic acid,2,3,5-trifluoro,cpzromddcppfoo-uhfffaoysa PubChem CID: 2776991 IUPAC Name: 2,3,5-trifluorobenzoic acid SMILES: OC(=O)C1=CC(F)=CC(F)=C1F
| PubChem CID | 2776991 |
|---|---|
| CAS | 654-87-5 |
| Molecular Weight (g/mol) | 176.09 |
| MDL Number | MFCD00061200 |
| SMILES | OC(=O)C1=CC(F)=CC(F)=C1F |
| Synonym | 2,3,5-trilfluorobenzoic acid,benzoic acid, 2,3,5-trifluoro,pubchem1401,acmc-209nr1,2,3,5-trifluorobenzoicacid,ksc622o6j,2,3,5-trifluoro-benzoic acid,rarechem al bo 0710,benzoic acid,2,3,5-trifluoro,cpzromddcppfoo-uhfffaoysa |
| IUPAC Name | 2,3,5-trifluorobenzoic acid |
| InChI Key | CPZROMDDCPPFOO-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O2 |
3',4',5-Trichlorosalicylanilide 98.0+%, TCI America™
CAS: 642-84-2 Molecular Formula: C13H8Cl3NO2 Molecular Weight (g/mol): 316.56 MDL Number: MFCD00059622 InChI Key: RSJBLPJKXGNMFW-UHFFFAOYSA-N PubChem CID: 69506 IUPAC Name: 5-chloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide SMILES: OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 69506 |
|---|---|
| CAS | 642-84-2 |
| Molecular Weight (g/mol) | 316.56 |
| MDL Number | MFCD00059622 |
| SMILES | OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(Cl)C(Cl)=C1 |
| IUPAC Name | 5-chloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide |
| InChI Key | RSJBLPJKXGNMFW-UHFFFAOYSA-N |
| Molecular Formula | C13H8Cl3NO2 |
Sodium 3-Methylsalicylate 97.0+%, TCI America™
CAS: 32768-20-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.131 MDL Number: MFCD00058985 InChI Key: ODAXNLPYGWAGTH-UHFFFAOYSA-M Synonym: o-Cresotic Acid Sodium Salt, 2-Hydroxy-3-methylbenzoic Acid Sodium Salt, 2-Hydroxy-m-toluic Acid Sodium Salt, Sodium 2-Hydroxy-3-methylbenzoate, 3-Methylsalicylic Acid Sodium Salt PubChem CID: 23668291 IUPAC Name: sodium;2-hydroxy-3-methylbenzoate SMILES: CC1=CC=CC(=C1O)C(=O)[O-].[Na+]
| PubChem CID | 23668291 |
|---|---|
| CAS | 32768-20-0 |
| Molecular Weight (g/mol) | 174.131 |
| MDL Number | MFCD00058985 |
| SMILES | CC1=CC=CC(=C1O)C(=O)[O-].[Na+] |
| Synonym | o-Cresotic Acid Sodium Salt, 2-Hydroxy-3-methylbenzoic Acid Sodium Salt, 2-Hydroxy-m-toluic Acid Sodium Salt, Sodium 2-Hydroxy-3-methylbenzoate, 3-Methylsalicylic Acid Sodium Salt |
| IUPAC Name | sodium;2-hydroxy-3-methylbenzoate |
| InChI Key | ODAXNLPYGWAGTH-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO3 |
6-Methoxysalicylic Acid 98.0+%, TCI America™
CAS: 3147-64-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00674090 InChI Key: AAUQLHHARJUJEH-UHFFFAOYSA-N Synonym: 6-methoxysalicylic acid,6-hydroxy-o-anisic acid,benzoic acid, 2-hydroxy-6-methoxy,6-methoxysalicylicacid,6-methoxysalicylsaure,pubchem18380,acmc-1cldg,6-methoxy-salicylic acid,2-carboxy-3-methoxyphenol,2-carboxy-3-hydroxyanisole PubChem CID: 591524 IUPAC Name: 2-hydroxy-6-methoxybenzoic acid SMILES: COC1=CC=CC(=C1C(=O)O)O
| PubChem CID | 591524 |
|---|---|
| CAS | 3147-64-6 |
| Molecular Weight (g/mol) | 168.148 |
| MDL Number | MFCD00674090 |
| SMILES | COC1=CC=CC(=C1C(=O)O)O |
| Synonym | 6-methoxysalicylic acid,6-hydroxy-o-anisic acid,benzoic acid, 2-hydroxy-6-methoxy,6-methoxysalicylicacid,6-methoxysalicylsaure,pubchem18380,acmc-1cldg,6-methoxy-salicylic acid,2-carboxy-3-methoxyphenol,2-carboxy-3-hydroxyanisole |
| IUPAC Name | 2-hydroxy-6-methoxybenzoic acid |
| InChI Key | AAUQLHHARJUJEH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
4-Chloro-3-fluorobenzoic Acid 98.0+%, TCI America™
CAS: 403-17-8 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.56 MDL Number: MFCD00143290 InChI Key: QPIBHIXKUQKNFP-UHFFFAOYSA-N Synonym: 3-fluoro-4-chlorobenzoic acid,4-chloro-3-fluorobenzoicacid,4-chloro-3-fluoro-benzoic acid,benzoic acid, 4-chloro-3-fluoro,pubchem1333,acmc-1ctvr,ksc493s7r,4-chloro-3-fluoro benzoicacid,rarechem al bo 1770,4-chloro-3-fluoro benzoic acid PubChem CID: 2736536 IUPAC Name: 4-chloro-3-fluorobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C(F)=C1
| PubChem CID | 2736536 |
|---|---|
| CAS | 403-17-8 |
| Molecular Weight (g/mol) | 174.56 |
| MDL Number | MFCD00143290 |
| SMILES | OC(=O)C1=CC=C(Cl)C(F)=C1 |
| Synonym | 3-fluoro-4-chlorobenzoic acid,4-chloro-3-fluorobenzoicacid,4-chloro-3-fluoro-benzoic acid,benzoic acid, 4-chloro-3-fluoro,pubchem1333,acmc-1ctvr,ksc493s7r,4-chloro-3-fluoro benzoicacid,rarechem al bo 1770,4-chloro-3-fluoro benzoic acid |
| IUPAC Name | 4-chloro-3-fluorobenzoic acid |
| InChI Key | QPIBHIXKUQKNFP-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO2 |
3-Bromo-4-fluorobenzoic Acid 96.0+%, TCI America™
CAS: 1007-16-5 Molecular Formula: C7H3BrFO2 Molecular Weight (g/mol): 218.00 MDL Number: MFCD00042463 InChI Key: ONELILMJNOWXSA-UHFFFAOYSA-M Synonym: 3-bromo-4-fluoro-benzoic acid,4-fluoro-3-bromo benzoic acid,3-bromo-4-fluorobenzoicacid,rarechem al bo 0604,buttpark 20\01-58,benzoic acid, 3-bromo-4-fluoro,3-bromo-4-fluorbenzoic acid,pubchem1320,3-bromo-4-fiuorobenzoic acid,5-bromo-4-fluorobenzoic acid PubChem CID: 70509 IUPAC Name: 3-bromo-4-fluorobenzoate SMILES: [O-]C(=O)C1=CC=C(F)C(Br)=C1
| PubChem CID | 70509 |
|---|---|
| CAS | 1007-16-5 |
| Molecular Weight (g/mol) | 218.00 |
| MDL Number | MFCD00042463 |
| SMILES | [O-]C(=O)C1=CC=C(F)C(Br)=C1 |
| Synonym | 3-bromo-4-fluoro-benzoic acid,4-fluoro-3-bromo benzoic acid,3-bromo-4-fluorobenzoicacid,rarechem al bo 0604,buttpark 20\01-58,benzoic acid, 3-bromo-4-fluoro,3-bromo-4-fluorbenzoic acid,pubchem1320,3-bromo-4-fiuorobenzoic acid,5-bromo-4-fluorobenzoic acid |
| IUPAC Name | 3-bromo-4-fluorobenzoate |
| InChI Key | ONELILMJNOWXSA-UHFFFAOYSA-M |
| Molecular Formula | C7H3BrFO2 |