Benzene and substituted derivatives
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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 |
Sodium salicylate, 99%
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 |
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 |
2-Fluorophenylboronic acid, 98%
CAS: 1993-03-9 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 MDL Number: MFCD00674013 InChI Key: QCSLIRFWJPOENV-UHFFFAOYSA-N Synonym: 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro PubChem CID: 2734354 IUPAC Name: (2-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1F
| PubChem CID | 2734354 |
|---|---|
| CAS | 1993-03-9 |
| Molecular Weight (g/mol) | 139.92 |
| MDL Number | MFCD00674013 |
| SMILES | OB(O)C1=CC=CC=C1F |
| Synonym | 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro |
| IUPAC Name | (2-fluorophenyl)boronic acid |
| InChI Key | QCSLIRFWJPOENV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
o-Anisaldehyde, 98%
CAS: 135-02-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003308 InChI Key: PKZJLOCLABXVMC-UHFFFAOYSA-N Synonym: o-anisaldehyde,benzaldehyde, 2-methoxy,2-anisaldehyde,o-methoxybenzaldehyde,6-methoxybenzaldehyde,salicylaldehyde methyl ether,2-methoxybenzenecarboxaldehyde,benzaldehyde, o-methoxy,2-methoxyphenylformaldehyde,formylanisole, o PubChem CID: 8658 IUPAC Name: 2-methoxybenzaldehyde SMILES: COC1=CC=CC=C1C=O
| PubChem CID | 8658 |
|---|---|
| CAS | 135-02-4 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00003308 |
| SMILES | COC1=CC=CC=C1C=O |
| Synonym | o-anisaldehyde,benzaldehyde, 2-methoxy,2-anisaldehyde,o-methoxybenzaldehyde,6-methoxybenzaldehyde,salicylaldehyde methyl ether,2-methoxybenzenecarboxaldehyde,benzaldehyde, o-methoxy,2-methoxyphenylformaldehyde,formylanisole, o |
| IUPAC Name | 2-methoxybenzaldehyde |
| InChI Key | PKZJLOCLABXVMC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
2,4,6-Trimethoxybenzaldehyde, 98%
CAS: 830-79-5 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.2 MDL Number: MFCD00003313 InChI Key: CRBZVDLXAIFERF-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4,6-trimethoxy,2,4,6-trimethoxybenz aldehyde,pubchem8264,acmc-1cuhn,ksc490m2h,2,4,6-trimethoxy-benzaldehyde,2,4,6-trimethoxybenz-aldehyde,2,4,6-trimethoxy benz aldehyde,crbzvdlxaiferf-uhfffaoysa,1-formyl-2,4,6-trimethoxybenzene PubChem CID: 70019 IUPAC Name: 2,4,6-trimethoxybenzaldehyde SMILES: COC1=CC(=C(C(=C1)OC)C=O)OC
| PubChem CID | 70019 |
|---|---|
| CAS | 830-79-5 |
| Molecular Weight (g/mol) | 196.2 |
| MDL Number | MFCD00003313 |
| SMILES | COC1=CC(=C(C(=C1)OC)C=O)OC |
| Synonym | benzaldehyde, 2,4,6-trimethoxy,2,4,6-trimethoxybenz aldehyde,pubchem8264,acmc-1cuhn,ksc490m2h,2,4,6-trimethoxy-benzaldehyde,2,4,6-trimethoxybenz-aldehyde,2,4,6-trimethoxy benz aldehyde,crbzvdlxaiferf-uhfffaoysa,1-formyl-2,4,6-trimethoxybenzene |
| IUPAC Name | 2,4,6-trimethoxybenzaldehyde |
| InChI Key | CRBZVDLXAIFERF-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
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 |
Methyl 3-fluorophenylacetate, 98%
CAS: 64123-77-9 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD03093288 InChI Key: OXYLCGRXCQARQV-UHFFFAOYSA-N Synonym: methyl 2-3-fluorophenyl acetate,methyl 3-fluorophenylacetate,methyl3-fluorophenylacetate,methyl 3-fluorophenyl acetate,3-fluorobenzeneacetic acid methyl ester,benzeneacetic acid, 3-fluoro-, methyl ester,3-fluorophenylacetic acid methyl ester,3-fluorophenyl acetic acid methyl ester,3-fluoro-phenyl-acetic acid methyl ester,2-3-fluorophenyl acetic acid methyl ester PubChem CID: 2734108 IUPAC Name: methyl 2-(3-fluorophenyl)acetate SMILES: COC(=O)CC1=CC=CC(F)=C1
| PubChem CID | 2734108 |
|---|---|
| CAS | 64123-77-9 |
| Molecular Weight (g/mol) | 168.17 |
| MDL Number | MFCD03093288 |
| SMILES | COC(=O)CC1=CC=CC(F)=C1 |
| Synonym | methyl 2-3-fluorophenyl acetate,methyl 3-fluorophenylacetate,methyl3-fluorophenylacetate,methyl 3-fluorophenyl acetate,3-fluorobenzeneacetic acid methyl ester,benzeneacetic acid, 3-fluoro-, methyl ester,3-fluorophenylacetic acid methyl ester,3-fluorophenyl acetic acid methyl ester,3-fluoro-phenyl-acetic acid methyl ester,2-3-fluorophenyl acetic acid methyl ester |
| IUPAC Name | methyl 2-(3-fluorophenyl)acetate |
| InChI Key | OXYLCGRXCQARQV-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
1-Ethynyl-2-fluorobenzene, 97%, Thermo Scientific Chemicals
CAS: 766-49-4 Molecular Formula: C8H5F Molecular Weight (g/mol): 120.13 MDL Number: MFCD00799540 InChI Key: YFPQIXUNBPQKQR-UHFFFAOYSA-N Synonym: 2-fluorophenylacetylene,2'-fluorophenyl acetylene,1-ethynyl-2-fluoro-benzene,2'-fluorophenylacetylene,2-fluorophenylethyne,o-fluorophenylacetylene,benzene, ethynylfluoro,2-fluoro-phenylacetylene,2-fluorophenyl-ethyne,2-fluorophenyl acetylene PubChem CID: 643358 IUPAC Name: 1-ethynyl-2-fluorobenzene SMILES: FC1=CC=CC=C1C#C
| PubChem CID | 643358 |
|---|---|
| CAS | 766-49-4 |
| Molecular Weight (g/mol) | 120.13 |
| MDL Number | MFCD00799540 |
| SMILES | FC1=CC=CC=C1C#C |
| Synonym | 2-fluorophenylacetylene,2'-fluorophenyl acetylene,1-ethynyl-2-fluoro-benzene,2'-fluorophenylacetylene,2-fluorophenylethyne,o-fluorophenylacetylene,benzene, ethynylfluoro,2-fluoro-phenylacetylene,2-fluorophenyl-ethyne,2-fluorophenyl acetylene |
| IUPAC Name | 1-ethynyl-2-fluorobenzene |
| InChI Key | YFPQIXUNBPQKQR-UHFFFAOYSA-N |
| Molecular Formula | C8H5F |
2-Bromo-4-chloro-1-iodobenzene, 98%
CAS: 31928-44-6 Molecular Formula: C6H3BrClI Molecular Weight (g/mol): 317.36 InChI Key: CXHXFDQEFKFYQJ-UHFFFAOYSA-N Synonym: 2-bromo-4-chloroiodobenzene,benzene, 2-bromo-4-chloro-1-iodo,acmc-209hpo,ksc494q6f,1-iodo-2-bromo-4-chlorobenzene,2-bromo-1-iodo-4-chlorobenzene PubChem CID: 13741326 IUPAC Name: 2-bromo-4-chloro-1-iodobenzene SMILES: C1=CC(=C(C=C1Cl)Br)I
| PubChem CID | 13741326 |
|---|---|
| CAS | 31928-44-6 |
| Molecular Weight (g/mol) | 317.36 |
| SMILES | C1=CC(=C(C=C1Cl)Br)I |
| Synonym | 2-bromo-4-chloroiodobenzene,benzene, 2-bromo-4-chloro-1-iodo,acmc-209hpo,ksc494q6f,1-iodo-2-bromo-4-chlorobenzene,2-bromo-1-iodo-4-chlorobenzene |
| IUPAC Name | 2-bromo-4-chloro-1-iodobenzene |
| InChI Key | CXHXFDQEFKFYQJ-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClI |
2-Bromobenzyl alcohol, 98%
CAS: 18982-54-2 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00004600 InChI Key: IOWGHQGLUMEZKG-UHFFFAOYSA-N Synonym: 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746 PubChem CID: 72850 IUPAC Name: (2-bromophenyl)methanol SMILES: OCC1=CC=CC=C1Br
| PubChem CID | 72850 |
|---|---|
| CAS | 18982-54-2 |
| Molecular Weight (g/mol) | 187.04 |
| MDL Number | MFCD00004600 |
| SMILES | OCC1=CC=CC=C1Br |
| Synonym | 2-bromobenzyl alcohol,2-bromophenyl methanol,o-bromobenzyl alcohol,benzenemethanol, 2-bromo,o-bromo-benzyl alcohol,2-bromobenzylalcohol,2-bromophenyl methan-1-ol,o-bromobenzylalcohol,2-bromo-benzylalcohol,pubchem3746 |
| IUPAC Name | (2-bromophenyl)methanol |
| InChI Key | IOWGHQGLUMEZKG-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
alpha-Bromo-p-toluic acid, 97%
CAS: 6232-88-8 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00002567 InChI Key: CQQSQBRPAJSTFB-UHFFFAOYSA-N Synonym: 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid PubChem CID: 22599 IUPAC Name: 4-(bromomethyl)benzoic acid SMILES: C1=CC(=CC=C1CBr)C(=O)O
| PubChem CID | 22599 |
|---|---|
| CAS | 6232-88-8 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00002567 |
| SMILES | C1=CC(=CC=C1CBr)C(=O)O |
| Synonym | 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid |
| IUPAC Name | 4-(bromomethyl)benzoic acid |
| InChI Key | CQQSQBRPAJSTFB-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
Diphenylmethane, 99%
CAS: 101-81-5 Molecular Formula: C13H12 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00004781 InChI Key: CZZYITDELCSZES-UHFFFAOYSA-N Synonym: diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene PubChem CID: 7580 ChEBI: CHEBI:38884 IUPAC Name: benzylbenzene SMILES: C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7580 |
|---|---|
| CAS | 101-81-5 |
| Molecular Weight (g/mol) | 168.24 |
| ChEBI | CHEBI:38884 |
| MDL Number | MFCD00004781 |
| SMILES | C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene |
| IUPAC Name | benzylbenzene |
| InChI Key | CZZYITDELCSZES-UHFFFAOYSA-N |
| Molecular Formula | C13H12 |