Benzene and substituted derivatives
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2-Formylbenzeneboronic acid, 97%
CAS: 40138-16-7 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151822 InChI Key: DGUWACLYDSWXRZ-UHFFFAOYSA-N Synonym: 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid PubChem CID: 292189 IUPAC Name: (2-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C=O
| PubChem CID | 292189 |
|---|---|
| CAS | 40138-16-7 |
| Molecular Weight (g/mol) | 149.94 |
| MDL Number | MFCD00151822 |
| SMILES | OB(O)C1=CC=CC=C1C=O |
| Synonym | 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid |
| IUPAC Name | (2-formylphenyl)boronic acid |
| InChI Key | DGUWACLYDSWXRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO3 |
2,6-Di-tert-butyl-4-methylphenol, 99%
CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 31404 |
|---|---|
| CAS | 128-37-0 |
| Molecular Weight (g/mol) | 220.35 |
| ChEBI | CHEBI:34247 |
| MDL Number | MFCD00011644 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Synonym | 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| InChI Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |
Diphenhydramine Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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CAS: 147-24-0 Molecular Formula: C17H22ClNO Molecular Weight (g/mol): 291.82 MDL Number: MFCD00012479 InChI Key: PCHPORCSPXIHLZ-UHFFFAOYSA-N IUPAC Name: hydrogen [2-(diphenylmethoxy)ethyl]dimethylamine chloride SMILES: [H+].[Cl-].CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
| CAS | 147-24-0 |
|---|---|
| Molecular Weight (g/mol) | 291.82 |
| MDL Number | MFCD00012479 |
| SMILES | [H+].[Cl-].CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | hydrogen [2-(diphenylmethoxy)ethyl]dimethylamine chloride |
| InChI Key | PCHPORCSPXIHLZ-UHFFFAOYSA-N |
| Molecular Formula | C17H22ClNO |
Benzyl Alcohol (Certified ACS), Fisher Chemical™
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
Fisher Scientific Sodium Salicylate (Powder/Certified), Fisher Chemical
CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
| PubChem CID | 16760658 |
|---|---|
| CAS | 54-21-7 |
| Molecular Weight (g/mol) | 160.104 |
| ChEBI | CHEBI:9180 |
| MDL Number | MFCD00002440 |
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])O.[Na+] |
| Synonym | sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl |
| IUPAC Name | sodium;2-hydroxybenzoate |
| InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical™
CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
| PubChem CID | 16760658 |
|---|---|
| CAS | 54-21-7 |
| Molecular Weight (g/mol) | 160.104 |
| ChEBI | CHEBI:9180 |
| MDL Number | MFCD00002440 |
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])O.[Na+] |
| Synonym | sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl |
| IUPAC Name | sodium;2-hydroxybenzoate |
| InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
Benzoyl Peroxide (Wet/Certified),75%(weight), 25% water, Fisher Chemical™
CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
| PubChem CID | 7187 |
|---|---|
| CAS | 94-36-0 |
| Molecular Weight (g/mol) | 242.23 |
| ChEBI | CHEBI:82405 |
| MDL Number | MFCD00003071 |
| SMILES | C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2 |
| Synonym | benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide |
| IUPAC Name | benzoyl benzenecarboperoxoate |
| InChI Key | OMPJBNCRMGITSC-UHFFFAOYSA-N |
| Molecular Formula | C14H10O4 |
2,4-Dinitrophenylhydrazine Hydrochloride 98.0+%, TCI America™
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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 |
2,6-Di-tert-butyl-p-cresol 99.0+%, TCI America™
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CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 31404 |
|---|---|
| CAS | 128-37-0 |
| Molecular Weight (g/mol) | 220.356 |
| ChEBI | CHEBI:34247 |
| MDL Number | MFCD00011644 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Synonym | 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| InChI Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |
p-Anisaldehyde 99.0+%, TCI America™
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CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O
| PubChem CID | 31244 |
|---|---|
| CAS | 123-11-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28235 |
| MDL Number | MFCD00003385 |
| SMILES | COC1=CC=C(C=C1)C=O |
| Synonym | p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine |
| IUPAC Name | 4-methoxybenzaldehyde |
| InChI Key | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
4-Phenoxybenzoic acid, 98%
CAS: 2215-77-2 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002539 InChI Key: RYAQFHLUEMJOMF-UHFFFAOYSA-N Synonym: p-phenoxybenzoic acid,benzoic acid, 4-phenoxy,diphenyl ether 4-carboxylic acid,4-phenoxy-benzoic acid,4-carboxybiphenyl ether,4-carboxydiphenyl ether,benzoic acid, p-phenoxy,p-carboxydiphenyl ether,4-phenoxy benzoic acid,4-phoc6h4cooh PubChem CID: 75182 ChEBI: CHEBI:72632 IUPAC Name: 4-phenoxybenzoic acid SMILES: OC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
| PubChem CID | 75182 |
|---|---|
| CAS | 2215-77-2 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:72632 |
| MDL Number | MFCD00002539 |
| SMILES | OC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1 |
| Synonym | p-phenoxybenzoic acid,benzoic acid, 4-phenoxy,diphenyl ether 4-carboxylic acid,4-phenoxy-benzoic acid,4-carboxybiphenyl ether,4-carboxydiphenyl ether,benzoic acid, p-phenoxy,p-carboxydiphenyl ether,4-phenoxy benzoic acid,4-phoc6h4cooh |
| IUPAC Name | 4-phenoxybenzoic acid |
| InChI Key | RYAQFHLUEMJOMF-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
2-Bromo-4,5-difluorobenzoic acid, 97%
CAS: 64695-84-7 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237 MDL Number: MFCD04973422 InChI Key: DGCBGBZYTNTZJH-UHFFFAOYSA-N Synonym: 2-bromo-4,5-difluorobenzoicacid,2-bromo-4,5-difluoro-benzoic acid,benzoic acid, 2-bromo-4,5-difluoro,pubchem4991,acmc-209nnq,ksc495k3l,benzoic acid,2-bromo-4,5-difluoro,2-bromo-4,5-difluorobenzoic acid,2-bromanyl-4,5-bis fluoranyl benzoic acid PubChem CID: 2782789 IUPAC Name: 2-bromo-4,5-difluorobenzoic acid SMILES: C1=C(C(=CC(=C1F)F)Br)C(=O)O
| PubChem CID | 2782789 |
|---|---|
| CAS | 64695-84-7 |
| Molecular Weight (g/mol) | 237 |
| MDL Number | MFCD04973422 |
| SMILES | C1=C(C(=CC(=C1F)F)Br)C(=O)O |
| Synonym | 2-bromo-4,5-difluorobenzoicacid,2-bromo-4,5-difluoro-benzoic acid,benzoic acid, 2-bromo-4,5-difluoro,pubchem4991,acmc-209nnq,ksc495k3l,benzoic acid,2-bromo-4,5-difluoro,2-bromo-4,5-difluorobenzoic acid,2-bromanyl-4,5-bis fluoranyl benzoic acid |
| IUPAC Name | 2-bromo-4,5-difluorobenzoic acid |
| InChI Key | DGCBGBZYTNTZJH-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF2O2 |
Diphenylphosphoryl azide, 98%
CAS: 26386-88-9 Molecular Formula: C12H10N3O3P Molecular Weight (g/mol): 275.20 MDL Number: MFCD00001987 InChI Key: SORGEQQSQGNZFI-UHFFFAOYSA-N Synonym: diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av PubChem CID: 123414 IUPAC Name: [azido(phenoxy)phosphoryl]oxybenzene SMILES: [N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 123414 |
|---|---|
| CAS | 26386-88-9 |
| Molecular Weight (g/mol) | 275.20 |
| MDL Number | MFCD00001987 |
| SMILES | [N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av |
| IUPAC Name | [azido(phenoxy)phosphoryl]oxybenzene |
| InChI Key | SORGEQQSQGNZFI-UHFFFAOYSA-N |
| Molecular Formula | C12H10N3O3P |
trans,trans-1,4-Diphenyl-1,3-butadiene, 99%
CAS: 538-81-8 Molecular Formula: C16H14 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00004791 InChI Key: JFLKFZNIIQFQBS-FNCQTZNRSA-N Synonym: bistyryl,1,4-diphenyl-1,3-butadiene,1,4-diphenylbutadiene,trans,trans-1,4-diphenyl-1,3-butadiene,1,4-diphenylerythrene,distyryl,trans,trans-1,4-diphenylbuta-1,3-diene,1,4-diphenylbuta-1,3-diene,1,1'-1e,3e-buta-1,3-diene-1,4-diyldibenzene,1,3-butadiene, 1,4-diphenyl PubChem CID: 641683 ChEBI: CHEBI:35100 IUPAC Name: [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene SMILES: C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1
| PubChem CID | 641683 |
|---|---|
| CAS | 538-81-8 |
| Molecular Weight (g/mol) | 206.29 |
| ChEBI | CHEBI:35100 |
| MDL Number | MFCD00004791 |
| SMILES | C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1 |
| Synonym | bistyryl,1,4-diphenyl-1,3-butadiene,1,4-diphenylbutadiene,trans,trans-1,4-diphenyl-1,3-butadiene,1,4-diphenylerythrene,distyryl,trans,trans-1,4-diphenylbuta-1,3-diene,1,4-diphenylbuta-1,3-diene,1,1'-1e,3e-buta-1,3-diene-1,4-diyldibenzene,1,3-butadiene, 1,4-diphenyl |
| IUPAC Name | [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene |
| InChI Key | JFLKFZNIIQFQBS-FNCQTZNRSA-N |
| Molecular Formula | C16H14 |
4-Aminophenyl ether, 98%
CAS: 101-80-4 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.24 MDL Number: MFCD00007863 InChI Key: HLBLWEWZXPIGSM-UHFFFAOYSA-N Synonym: 4,4'-oxydianiline,4,4'-diaminodiphenyl ether,4,4-oxydianiline,4-aminophenyl ether,4,4'-oxybisbenzenamine,oxydianiline,4-4-aminophenoxy aniline,diaminodiphenyl ether,benzenamine, 4,4'-oxybis,p,p'-oxydianiline PubChem CID: 7579 ChEBI: CHEBI:34384 IUPAC Name: 4-(4-aminophenoxy)aniline SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N
| PubChem CID | 7579 |
|---|---|
| CAS | 101-80-4 |
| Molecular Weight (g/mol) | 200.24 |
| ChEBI | CHEBI:34384 |
| MDL Number | MFCD00007863 |
| SMILES | C1=CC(=CC=C1N)OC2=CC=C(C=C2)N |
| Synonym | 4,4'-oxydianiline,4,4'-diaminodiphenyl ether,4,4-oxydianiline,4-aminophenyl ether,4,4'-oxybisbenzenamine,oxydianiline,4-4-aminophenoxy aniline,diaminodiphenyl ether,benzenamine, 4,4'-oxybis,p,p'-oxydianiline |
| IUPAC Name | 4-(4-aminophenoxy)aniline |
| InChI Key | HLBLWEWZXPIGSM-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O |