Benzene and substituted derivatives
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2,4,6-Trichlorobenzoic acid, 94%
CAS: 50-43-1 Molecular Formula: C7H3Cl3O2 Molecular Weight (g/mol): 225.449 MDL Number: MFCD00060699 InChI Key: RAFFVQBMVYYTQS-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f PubChem CID: 5764 IUPAC Name: 2,4,6-trichlorobenzoic acid SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl
| PubChem CID | 5764 |
|---|---|
| CAS | 50-43-1 |
| Molecular Weight (g/mol) | 225.449 |
| MDL Number | MFCD00060699 |
| SMILES | C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl |
| Synonym | benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f |
| IUPAC Name | 2,4,6-trichlorobenzoic acid |
| InChI Key | RAFFVQBMVYYTQS-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O2 |
Benzyltri-n-propylammonium chloride, 96%
CAS: 5197-87-5 Molecular Formula: C16H28ClN Molecular Weight (g/mol): 269.86 MDL Number: MFCD00051869 InChI Key: YTRIOKYQEVFKGU-UHFFFAOYSA-M Synonym: benzyltripropylammonium chloride,n-benzyl-n,n-dipropylpropan-1-aminium chloride,benzyl tripropyl ammonium chloride,benzyltri-n-propylammonium chloride,benzyltripropylazanium chloride,benzyl tripropyl azanium chloride,acmc-20alov,c16h28n.cl,benzyl-tri-n-propylammonium chloride PubChem CID: 6097067 IUPAC Name: benzyltripropylazanium chloride SMILES: [Cl-].CCC[N+](CCC)(CCC)CC1=CC=CC=C1
| PubChem CID | 6097067 |
|---|---|
| CAS | 5197-87-5 |
| Molecular Weight (g/mol) | 269.86 |
| MDL Number | MFCD00051869 |
| SMILES | [Cl-].CCC[N+](CCC)(CCC)CC1=CC=CC=C1 |
| Synonym | benzyltripropylammonium chloride,n-benzyl-n,n-dipropylpropan-1-aminium chloride,benzyl tripropyl ammonium chloride,benzyltri-n-propylammonium chloride,benzyltripropylazanium chloride,benzyl tripropyl azanium chloride,acmc-20alov,c16h28n.cl,benzyl-tri-n-propylammonium chloride |
| IUPAC Name | benzyltripropylazanium chloride |
| InChI Key | YTRIOKYQEVFKGU-UHFFFAOYSA-M |
| Molecular Formula | C16H28ClN |
Propylparaben, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(O)C=C1
| CAS | 94-13-3 |
|---|---|
| Molecular Weight (g/mol) | 180.20 |
| SMILES | CCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Acetanilide, 99%, Spectrum™ Chemical
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CAS: 103-84-4
| CAS | 103-84-4 |
|---|
4-Aminobenzyl cyanide, 99%
CAS: 3544-25-0 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00007912 InChI Key: YCWRFIYBUQBHJI-UHFFFAOYSA-N Synonym: 4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl PubChem CID: 77000 IUPAC Name: 2-(4-aminophenyl)acetonitrile SMILES: NC1=CC=C(CC#N)C=C1
| PubChem CID | 77000 |
|---|---|
| CAS | 3544-25-0 |
| Molecular Weight (g/mol) | 132.17 |
| MDL Number | MFCD00007912 |
| SMILES | NC1=CC=C(CC#N)C=C1 |
| Synonym | 4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl |
| IUPAC Name | 2-(4-aminophenyl)acetonitrile |
| InChI Key | YCWRFIYBUQBHJI-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
(Carbethoxymethyl)triphenylphosphonium bromide, 98%
CAS: 1530-45-6 Molecular Formula: C22H22BrO2P Molecular Weight (g/mol): 429.29 MDL Number: MFCD00011835 InChI Key: VJVZPTPOYCJFNI-UHFFFAOYSA-M Synonym: carbethoxymethyl triphenylphosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphonium bromide,ethoxycarbonylmethyl triphenylphosphonium bromide,carbethoxymethylenetriphenylphosphonium bromide,ethoxycarbonylmethyl triphenyl phosphonium bromide,phosphonium, 2-ethoxy-2-oxoethyl triphenyl-, bromide,carbethoxymethyl-triphenyl-phosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphanium bromide,carboethoxymethyl triphenylphosphonium bromide,phosphonium, ethoxycarbonylmethyl triphenyl-, bromide PubChem CID: 73731 IUPAC Name: (2-ethoxy-2-oxoethyl)-triphenylphosphanium;bromide SMILES: [Br-].CCOC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 73731 |
|---|---|
| CAS | 1530-45-6 |
| Molecular Weight (g/mol) | 429.29 |
| MDL Number | MFCD00011835 |
| SMILES | [Br-].CCOC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | carbethoxymethyl triphenylphosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphonium bromide,ethoxycarbonylmethyl triphenylphosphonium bromide,carbethoxymethylenetriphenylphosphonium bromide,ethoxycarbonylmethyl triphenyl phosphonium bromide,phosphonium, 2-ethoxy-2-oxoethyl triphenyl-, bromide,carbethoxymethyl-triphenyl-phosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphanium bromide,carboethoxymethyl triphenylphosphonium bromide,phosphonium, ethoxycarbonylmethyl triphenyl-, bromide |
| IUPAC Name | (2-ethoxy-2-oxoethyl)-triphenylphosphanium;bromide |
| InChI Key | VJVZPTPOYCJFNI-UHFFFAOYSA-M |
| Molecular Formula | C22H22BrO2P |
Diphenylacetic acid, 99%
CAS: 117-34-0 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00004251 InChI Key: PYHXGXCGESYPCW-UHFFFAOYSA-N Synonym: diphenylacetic acid,diphenylethanoic acid,acetic acid, diphenyl,benzeneacetic acid, .alpha.-phenyl,1,1-diphenylacetic acid,unii-658ncz0nko,diphenyl-acetic acid,alpha-toluic acid, alpha-phenyl,658ncz0nko,benzeneacetic acid, alpha-phenyl PubChem CID: 8333 ChEBI: CHEBI:41967 IUPAC Name: 2,2-diphenylacetic acid SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O
| PubChem CID | 8333 |
|---|---|
| CAS | 117-34-0 |
| Molecular Weight (g/mol) | 212.248 |
| ChEBI | CHEBI:41967 |
| MDL Number | MFCD00004251 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O |
| Synonym | diphenylacetic acid,diphenylethanoic acid,acetic acid, diphenyl,benzeneacetic acid, .alpha.-phenyl,1,1-diphenylacetic acid,unii-658ncz0nko,diphenyl-acetic acid,alpha-toluic acid, alpha-phenyl,658ncz0nko,benzeneacetic acid, alpha-phenyl |
| IUPAC Name | 2,2-diphenylacetic acid |
| InChI Key | PYHXGXCGESYPCW-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
2-Isopropylphenol, 98+%
CAS: 88-69-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002224 InChI Key: CRBJBYGJVIBWIY-UHFFFAOYSA-N Synonym: 2-isopropylphenol,o-hydroxycumene,o-isopropylphenol,o-cumenol,1-hydroxy-2-isopropylbenzene,2-propan-2-yl phenol,2-1-methylethyl phenol,phenol, o-isopropyl,phenol, 2-1-methylethyl,isopropylphenol PubChem CID: 6943 ChEBI: CHEBI:38506 IUPAC Name: 2-propan-2-ylphenol SMILES: CC(C)C1=CC=CC=C1O
| PubChem CID | 6943 |
|---|---|
| CAS | 88-69-7 |
| Molecular Weight (g/mol) | 136.194 |
| ChEBI | CHEBI:38506 |
| MDL Number | MFCD00002224 |
| SMILES | CC(C)C1=CC=CC=C1O |
| Synonym | 2-isopropylphenol,o-hydroxycumene,o-isopropylphenol,o-cumenol,1-hydroxy-2-isopropylbenzene,2-propan-2-yl phenol,2-1-methylethyl phenol,phenol, o-isopropyl,phenol, 2-1-methylethyl,isopropylphenol |
| IUPAC Name | 2-propan-2-ylphenol |
| InChI Key | CRBJBYGJVIBWIY-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
Chloramine T sodium salt trihydrate, 100.29%, MP Biomedicals™
CAS: 127-65-1 Molecular Formula: C7H7ClNNaO2S Molecular Weight (g/mol): 227.638 InChI Key: VDQQXEISLMTGAB-UHFFFAOYSA-N Synonym: chloramine-t,chloramine t,chloralone,chlorasan,chlorozone,acti-chlore,chloraseptine,chlorazene,chlorazone,chlorseptol PubChem CID: 3641960 ChEBI: CHEBI:53767 IUPAC Name: sodium;chloro-(4-methylphenyl)sulfonylazanide SMILES: CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]
| PubChem CID | 3641960 |
|---|---|
| CAS | 127-65-1 |
| Molecular Weight (g/mol) | 227.638 |
| ChEBI | CHEBI:53767 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+] |
| Synonym | chloramine-t,chloramine t,chloralone,chlorasan,chlorozone,acti-chlore,chloraseptine,chlorazene,chlorazone,chlorseptol |
| IUPAC Name | sodium;chloro-(4-methylphenyl)sulfonylazanide |
| InChI Key | VDQQXEISLMTGAB-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClNNaO2S |
Capsaicin, USP, Spectrum™ Chemical
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CAS: 404-86-4 Molecular Formula: C18H27NO3 Molecular Weight (g/mol): 305.42 InChI Key: YKPUWZUDDOIDPM-SOFGYWHQSA-N IUPAC Name: (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide SMILES: COC1=CC(CNC(=O)CCCC\C=C\C(C)C)=CC=C1O
| CAS | 404-86-4 |
|---|---|
| Molecular Weight (g/mol) | 305.42 |
| SMILES | COC1=CC(CNC(=O)CCCC\C=C\C(C)C)=CC=C1O |
| IUPAC Name | (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
| InChI Key | YKPUWZUDDOIDPM-SOFGYWHQSA-N |
| Molecular Formula | C18H27NO3 |
4-Methoxybenzoic acid, 98+%
CAS: 100-09-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Synonym: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O
| PubChem CID | 7478 |
|---|---|
| CAS | 100-09-4 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:40813 |
| MDL Number | MFCD00002542 |
| SMILES | COC1=CC=C(C=C1)C(O)=O |
| Synonym | p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer |
| IUPAC Name | 4-methoxybenzoic acid |
| InChI Key | ZEYHEAKUIGZSGI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Decafluorobiphenyl, 99%
CAS: 434-90-2 Molecular Formula: C12F10 Molecular Weight (g/mol): 334.116 MDL Number: MFCD00000292 InChI Key: ONUFSRWQCKNVSL-UHFFFAOYSA-N Synonym: decafluorobiphenyl,perfluorobiphenyl,biphenyl, decafluoro,perfluorodiphenyl,1,1'-biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro,1,2,3,4,5-pentafluoro-6-2,3,4,5,6-pentafluorophenyl benzene,decafluoro biphenyl,pubchem9114,acmc-1ctuw PubChem CID: 67949 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F
| PubChem CID | 67949 |
|---|---|
| CAS | 434-90-2 |
| Molecular Weight (g/mol) | 334.116 |
| MDL Number | MFCD00000292 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F |
| Synonym | decafluorobiphenyl,perfluorobiphenyl,biphenyl, decafluoro,perfluorodiphenyl,1,1'-biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro,1,2,3,4,5-pentafluoro-6-2,3,4,5,6-pentafluorophenyl benzene,decafluoro biphenyl,pubchem9114,acmc-1ctuw |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene |
| InChI Key | ONUFSRWQCKNVSL-UHFFFAOYSA-N |
| Molecular Formula | C12F10 |
2,6-Di-tert-butylphenol, 98%
CAS: 128-39-2 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00008820 InChI Key: DKCPKDPYUFEZCP-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 PubChem CID: 31405 IUPAC Name: 2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C
| PubChem CID | 31405 |
|---|---|
| CAS | 128-39-2 |
| Molecular Weight (g/mol) | 206.33 |
| MDL Number | MFCD00008820 |
| SMILES | CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C |
| Synonym | 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 |
| IUPAC Name | 2,6-ditert-butylphenol |
| InChI Key | DKCPKDPYUFEZCP-UHFFFAOYSA-N |
| Molecular Formula | C14H22O |