Benzene and substituted derivatives
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Benzyltrimethylammonium Tribromide 97.0+%, TCI America™
CAS: 111865-47-5 Molecular Formula: C10H17Br3N+ Molecular Weight (g/mol): 390.965 MDL Number: MFCD00134423 InChI Key: GSDDWZVWOXMLJZ-UHFFFAOYSA-N Synonym: benzyltrimethylammonium tribromide PubChem CID: 86222689 IUPAC Name: benzyl(trimethyl)azanium;molecular bromine;hydrobromide SMILES: C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr
| PubChem CID | 86222689 |
|---|---|
| CAS | 111865-47-5 |
| Molecular Weight (g/mol) | 390.965 |
| MDL Number | MFCD00134423 |
| SMILES | C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr |
| Synonym | benzyltrimethylammonium tribromide |
| IUPAC Name | benzyl(trimethyl)azanium;molecular bromine;hydrobromide |
| InChI Key | GSDDWZVWOXMLJZ-UHFFFAOYSA-N |
| Molecular Formula | C10H17Br3N+ |
3,4,5-Trimethoxyphenylacetonitrile 97.0+%, TCI America™
CAS: 13338-63-1 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.23 MDL Number: MFCD00001912 InChI Key: ACFJNTXCEQCDBX-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetonitrile,2-3,4,5-trimethoxyphenyl acetonitrile,3,4,5-trimethoxybenzyl cyanide,3,4,5-trimethoxybenzylnitrile,3,4,5-trimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylacetylnitryl,3,4,5-trimethoxyphenyl acetonitrile,acetonitrile, 3,4,5-trimethoxyphenyl,2-3,4,5-trimethoxyphenyl ethanenitrile PubChem CID: 25887 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetonitrile SMILES: COC1=CC(CC#N)=CC(OC)=C1OC
| PubChem CID | 25887 |
|---|---|
| CAS | 13338-63-1 |
| Molecular Weight (g/mol) | 207.23 |
| MDL Number | MFCD00001912 |
| SMILES | COC1=CC(CC#N)=CC(OC)=C1OC |
| Synonym | 3,4,5-trimethoxyphenylacetonitrile,2-3,4,5-trimethoxyphenyl acetonitrile,3,4,5-trimethoxybenzyl cyanide,3,4,5-trimethoxybenzylnitrile,3,4,5-trimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylacetylnitryl,3,4,5-trimethoxyphenyl acetonitrile,acetonitrile, 3,4,5-trimethoxyphenyl,2-3,4,5-trimethoxyphenyl ethanenitrile |
| IUPAC Name | 2-(3,4,5-trimethoxyphenyl)acetonitrile |
| InChI Key | ACFJNTXCEQCDBX-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO3 |
Ethyl p-Toluate 99.0+%, TCI America™
CAS: 94-08-6 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009117 InChI Key: NWPWRAWAUYIELB-UHFFFAOYSA-N Synonym: ethyl p-toluate,ethyl p-methylbenzoate,benzoic acid, 4-methyl-, ethyl ester,4-methylbenzoic acid ethyl ester,unii-xuf0sq8l2j,p-toluic acid ethyl ester,xuf0sq8l2j,p-toluic acid, ethyl ester,4-methyl-benzoic acid ethyl ester,ethyl4-methylbenzoate PubChem CID: 66743 IUPAC Name: ethyl 4-methylbenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C
| PubChem CID | 66743 |
|---|---|
| CAS | 94-08-6 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00009117 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C |
| Synonym | ethyl p-toluate,ethyl p-methylbenzoate,benzoic acid, 4-methyl-, ethyl ester,4-methylbenzoic acid ethyl ester,unii-xuf0sq8l2j,p-toluic acid ethyl ester,xuf0sq8l2j,p-toluic acid, ethyl ester,4-methyl-benzoic acid ethyl ester,ethyl4-methylbenzoate |
| IUPAC Name | ethyl 4-methylbenzoate |
| InChI Key | NWPWRAWAUYIELB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Trimethylene Bis(4-aminobenzoate) 98.0+%, TCI America™
CAS: 57609-64-0 Molecular Formula: C17H18N2O4 Molecular Weight (g/mol): 314.34 MDL Number: MFCD00129765 InChI Key: YPACMOORZSDQDQ-UHFFFAOYSA-N Synonym: 1,3-Bis(4-aminobenzoyloxy)propane, 1,3-Propanediol Bis(4-aminobenzoate) PubChem CID: 93312 IUPAC Name: 3-(4-aminobenzoyloxy)propyl 4-aminobenzoate SMILES: NC1=CC=C(C=C1)C(=O)OCCCOC(=O)C1=CC=C(N)C=C1
| PubChem CID | 93312 |
|---|---|
| CAS | 57609-64-0 |
| Molecular Weight (g/mol) | 314.34 |
| MDL Number | MFCD00129765 |
| SMILES | NC1=CC=C(C=C1)C(=O)OCCCOC(=O)C1=CC=C(N)C=C1 |
| Synonym | 1,3-Bis(4-aminobenzoyloxy)propane, 1,3-Propanediol Bis(4-aminobenzoate) |
| IUPAC Name | 3-(4-aminobenzoyloxy)propyl 4-aminobenzoate |
| InChI Key | YPACMOORZSDQDQ-UHFFFAOYSA-N |
| Molecular Formula | C17H18N2O4 |
Tribromomethyl Phenyl Sulfone 97.0+%, TCI America™
CAS: 17025-47-7 Molecular Formula: C7H5Br3O2S Molecular Weight (g/mol): 392.887 MDL Number: MFCD00060068 InChI Key: DWWMSEANWMWMCB-UHFFFAOYSA-N Synonym: Phenyl Tribromomethyl Sulfone PubChem CID: 86912 IUPAC Name: tribromomethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br
| PubChem CID | 86912 |
|---|---|
| CAS | 17025-47-7 |
| Molecular Weight (g/mol) | 392.887 |
| MDL Number | MFCD00060068 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br |
| Synonym | Phenyl Tribromomethyl Sulfone |
| IUPAC Name | tribromomethylsulfonylbenzene |
| InChI Key | DWWMSEANWMWMCB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br3O2S |
2,2',3,3'-Tetrahydroxy-1,1'-binaphthyl 98.0+%, TCI America™
CAS: 39215-21-9 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00188003 InChI Key: OOSHJGKXQBJASF-UHFFFAOYSA-N Synonym: 1,1′C-Bi(2,3-naphthodiol) PubChem CID: 316673 IUPAC Name: [1,1'-binaphthalene]-2,2',3,3'-tetrol SMILES: OC1=C(O)C(=C2C=CC=CC2=C1)C1=C2C=CC=CC2=CC(O)=C1O
| PubChem CID | 316673 |
|---|---|
| CAS | 39215-21-9 |
| Molecular Weight (g/mol) | 318.33 |
| MDL Number | MFCD00188003 |
| SMILES | OC1=C(O)C(=C2C=CC=CC2=C1)C1=C2C=CC=CC2=CC(O)=C1O |
| Synonym | 1,1′C-Bi(2,3-naphthodiol) |
| IUPAC Name | [1,1'-binaphthalene]-2,2',3,3'-tetrol |
| InChI Key | OOSHJGKXQBJASF-UHFFFAOYSA-N |
| Molecular Formula | C20H14O4 |
3-Trifluoromethyl-4'-methoxydiphenylamine, TCI America™
CAS: 1494-26-4 Molecular Formula: C14H12F3NO Molecular Weight (g/mol): 267.25 MDL Number: MFCD00143198 InChI Key: VODIERGLAGAWQU-UHFFFAOYSA-N Synonym: N-(3-Trifluoromethylphenyl)-p-anisidine PubChem CID: 619960 IUPAC Name: 4-methoxy-N-[3-(trifluoromethyl)phenyl]aniline SMILES: COC1=CC=C(NC2=CC=CC(=C2)C(F)(F)F)C=C1
| PubChem CID | 619960 |
|---|---|
| CAS | 1494-26-4 |
| Molecular Weight (g/mol) | 267.25 |
| MDL Number | MFCD00143198 |
| SMILES | COC1=CC=C(NC2=CC=CC(=C2)C(F)(F)F)C=C1 |
| Synonym | N-(3-Trifluoromethylphenyl)-p-anisidine |
| IUPAC Name | 4-methoxy-N-[3-(trifluoromethyl)phenyl]aniline |
| InChI Key | VODIERGLAGAWQU-UHFFFAOYSA-N |
| Molecular Formula | C14H12F3NO |
Tetraphenylphosphonium Iodide 98.0+%, TCI America™
CAS: 2065-67-0 Molecular Formula: C24H20IP Molecular Weight (g/mol): 466.30 MDL Number: MFCD00011917 InChI Key: AEFPPQGZJFTXDR-UHFFFAOYSA-M Synonym: tetraphenylphosphonium iodide,tetraphenylphosphoniumiodide,tetraphenylphosphanium iodide,acmc-1cpca PubChem CID: 2724164 IUPAC Name: tetraphenylphosphanium iodide SMILES: [I-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724164 |
|---|---|
| CAS | 2065-67-0 |
| Molecular Weight (g/mol) | 466.30 |
| MDL Number | MFCD00011917 |
| SMILES | [I-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetraphenylphosphonium iodide,tetraphenylphosphoniumiodide,tetraphenylphosphanium iodide,acmc-1cpca |
| IUPAC Name | tetraphenylphosphanium iodide |
| InChI Key | AEFPPQGZJFTXDR-UHFFFAOYSA-M |
| Molecular Formula | C24H20IP |
(2-Trimethylsilylethyl)triphenylphosphonium Iodide 98.0+%, TCI America™
CAS: 63922-84-9 Molecular Formula: C23H28IPSi Molecular Weight (g/mol): 490.44 MDL Number: MFCD00191591 InChI Key: NXZYPOSEOPBJMW-UHFFFAOYSA-M Synonym: Triphenyl(2-trimethylsilylethyl)phosphonium Iodide PubChem CID: 22245266 IUPAC Name: triphenyl(2-trimethylsilylethyl)phosphanium;iodide SMILES: C[Si](C)(C)CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]
| PubChem CID | 22245266 |
|---|---|
| CAS | 63922-84-9 |
| Molecular Weight (g/mol) | 490.44 |
| MDL Number | MFCD00191591 |
| SMILES | C[Si](C)(C)CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-] |
| Synonym | Triphenyl(2-trimethylsilylethyl)phosphonium Iodide |
| IUPAC Name | triphenyl(2-trimethylsilylethyl)phosphanium;iodide |
| InChI Key | NXZYPOSEOPBJMW-UHFFFAOYSA-M |
| Molecular Formula | C23H28IPSi |
3-(Trifluoromethyl)benzaldehyde 95.0+%, TCI America™
CAS: 454-89-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00003373 InChI Key: NMTUHPSKJJYGML-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride PubChem CID: 67990 IUPAC Name: 3-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC(=C1)C(F)(F)F)C=O
| PubChem CID | 67990 |
|---|---|
| CAS | 454-89-7 |
| Molecular Weight (g/mol) | 174.122 |
| MDL Number | MFCD00003373 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=O |
| Synonym | 3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride |
| IUPAC Name | 3-(trifluoromethyl)benzaldehyde |
| InChI Key | NMTUHPSKJJYGML-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
2,4,6-Trimethylbenzoic Acid 98.0+%, TCI America™
CAS: 480-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00002481 InChI Key: FFFIRKXTFQCCKJ-UHFFFAOYSA-N Synonym: mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl PubChem CID: 10194 ChEBI: CHEBI:64830 IUPAC Name: 2,4,6-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C(O)=O)C(C)=C1
| PubChem CID | 10194 |
|---|---|
| CAS | 480-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:64830 |
| MDL Number | MFCD00002481 |
| SMILES | CC1=CC(C)=C(C(O)=O)C(C)=C1 |
| Synonym | mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl |
| IUPAC Name | 2,4,6-trimethylbenzoic acid |
| InChI Key | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
3-(Trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™
CAS: 2251-65-2 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.564 MDL Number: MFCD00000680 InChI Key: RUJYJCANMOTJMO-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 PubChem CID: 75257 IUPAC Name: 3-(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
| PubChem CID | 75257 |
|---|---|
| CAS | 2251-65-2 |
| Molecular Weight (g/mol) | 208.564 |
| MDL Number | MFCD00000680 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl |
| Synonym | 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 |
| IUPAC Name | 3-(trifluoromethyl)benzoyl chloride |
| InChI Key | RUJYJCANMOTJMO-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClF3O |
3,5,6-Trichlorosalicylic Acid 97.0+%, TCI America™
CAS: 40932-60-3 Molecular Formula: C7H3Cl3O3 Molecular Weight (g/mol): 241.448 MDL Number: MFCD00075245 InChI Key: IIHCUZVBIMTHEB-UHFFFAOYSA-N Synonym: 3,5,6-trichlorosalicylic acid,benzoic acid, 2,3,5-trichloro-6-hydroxy,3,5,6-trichloro-2-hydroxybenzoic acid,ghl.pd_mitscher_leg0.102,acmc-209jhp,ksc489o8r,chembl10381,3,5,6-trichloro-salicylic acid,2,3,5-trichloro-6-hydroxy-benzoic acid,# PubChem CID: 94511 IUPAC Name: 2,3,5-trichloro-6-hydroxybenzoic acid SMILES: C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)O)Cl
| PubChem CID | 94511 |
|---|---|
| CAS | 40932-60-3 |
| Molecular Weight (g/mol) | 241.448 |
| MDL Number | MFCD00075245 |
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)O)Cl |
| Synonym | 3,5,6-trichlorosalicylic acid,benzoic acid, 2,3,5-trichloro-6-hydroxy,3,5,6-trichloro-2-hydroxybenzoic acid,ghl.pd_mitscher_leg0.102,acmc-209jhp,ksc489o8r,chembl10381,3,5,6-trichloro-salicylic acid,2,3,5-trichloro-6-hydroxy-benzoic acid,# |
| IUPAC Name | 2,3,5-trichloro-6-hydroxybenzoic acid |
| InChI Key | IIHCUZVBIMTHEB-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O3 |
2,4,5-Trimethylbenzophenone 95.0+%, TCI America™
CAS: 52890-52-5 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 InChI Key: FTPZYWUJDVZEIE-UHFFFAOYSA-N PubChem CID: 14907151 IUPAC Name: phenyl-(2,4,5-trimethylphenyl)methanone SMILES: CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)C)C
| PubChem CID | 14907151 |
|---|---|
| CAS | 52890-52-5 |
| Molecular Weight (g/mol) | 224.303 |
| SMILES | CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)C)C |
| IUPAC Name | phenyl-(2,4,5-trimethylphenyl)methanone |
| InChI Key | FTPZYWUJDVZEIE-UHFFFAOYSA-N |
| Molecular Formula | C16H16O |
2,4,6-Trifluorobenzaldehyde 98.0+%, TCI America™
CAS: 58551-83-0 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.095 MDL Number: MFCD00061197 InChI Key: KPJIEPBITZLHPQ-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4,6-trifluoro,2,4,6-ttrifluorobenzaldehyde,pubchem1416,acmc-209m5d,2,4,6 trifluorobenzaldehyde,ksc272c8l,2,4,6-trifluoro benzaldehyde,2,4,6-trifluoro-benzaldehyde PubChem CID: 521845 IUPAC Name: 2,4,6-trifluorobenzaldehyde SMILES: C1=C(C=C(C(=C1F)C=O)F)F
| PubChem CID | 521845 |
|---|---|
| CAS | 58551-83-0 |
| Molecular Weight (g/mol) | 160.095 |
| MDL Number | MFCD00061197 |
| SMILES | C1=C(C=C(C(=C1F)C=O)F)F |
| Synonym | benzaldehyde, 2,4,6-trifluoro,2,4,6-ttrifluorobenzaldehyde,pubchem1416,acmc-209m5d,2,4,6 trifluorobenzaldehyde,ksc272c8l,2,4,6-trifluoro benzaldehyde,2,4,6-trifluoro-benzaldehyde |
| IUPAC Name | 2,4,6-trifluorobenzaldehyde |
| InChI Key | KPJIEPBITZLHPQ-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O |