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 (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 |
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 |
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 |
2,4,6-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 |
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 |
m-Anisic acid, 98%
CAS: 586-38-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002499 InChI Key: XHQZJYCNDZAGLW-UHFFFAOYSA-N Synonym: m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425 PubChem CID: 11461 IUPAC Name: 3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1)C(=O)O
| PubChem CID | 11461 |
|---|---|
| CAS | 586-38-9 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00002499 |
| SMILES | COC1=CC=CC(=C1)C(=O)O |
| Synonym | m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425 |
| IUPAC Name | 3-methoxybenzoic acid |
| InChI Key | XHQZJYCNDZAGLW-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
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 |
2-Hydroxy-5-nitrobenzaldehyde, 98+%
CAS: 97-51-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007337 InChI Key: IHFRMUGEILMHNU-UHFFFAOYSA-N Synonym: 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 PubChem CID: 66808 IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=CC=C(C=C1C=O)[N+]([O-])=O
| PubChem CID | 66808 |
|---|---|
| CAS | 97-51-8 |
| Molecular Weight (g/mol) | 167.12 |
| MDL Number | MFCD00007337 |
| SMILES | OC1=CC=C(C=C1C=O)[N+]([O-])=O |
| Synonym | 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 |
| IUPAC Name | 2-hydroxy-5-nitrobenzaldehyde |
| InChI Key | IHFRMUGEILMHNU-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
4-Methylbenzyl alcohol, 98%
CAS: 589-18-4 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00004664 InChI Key: KMTDMTZBNYGUNX-UHFFFAOYSA-N Synonym: 4-methylbenzyl alcohol,p-tolylmethanol,p-tolylcarbinol,4-methylphenyl methanol,4-tolylcarbinol,p-methylbenzyl alcohol,benzenemethanol, 4-methyl,4-hydroxymethyl toluene,benzyl alcohol, p-methyl,4-methylbenzenemethanol PubChem CID: 11505 ChEBI: CHEBI:1895 IUPAC Name: (4-methylphenyl)methanol SMILES: CC1=CC=C(C=C1)CO
| PubChem CID | 11505 |
|---|---|
| CAS | 589-18-4 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:1895 |
| MDL Number | MFCD00004664 |
| SMILES | CC1=CC=C(C=C1)CO |
| Synonym | 4-methylbenzyl alcohol,p-tolylmethanol,p-tolylcarbinol,4-methylphenyl methanol,4-tolylcarbinol,p-methylbenzyl alcohol,benzenemethanol, 4-methyl,4-hydroxymethyl toluene,benzyl alcohol, p-methyl,4-methylbenzenemethanol |
| IUPAC Name | (4-methylphenyl)methanol |
| InChI Key | KMTDMTZBNYGUNX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
N-Methylbenzylamine, 97%
CAS: 103-67-3 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008289 InChI Key: RIWRFSMVIUAEBX-UHFFFAOYSA-N Synonym: n-methylbenzylamine,methylbenzylamine,n-benzylmethylamine,benzyl methyl amine,benzenemethanamine, n-methyl,benzylmethylamine,n-methy-n-benzylamine,n-benzyl-n-methylamine,benzylamine, n-methyl,n-methyl phenyl methanamine PubChem CID: 7669 IUPAC Name: N-methyl-1-phenylmethanamine SMILES: CNCC1=CC=CC=C1
| PubChem CID | 7669 |
|---|---|
| CAS | 103-67-3 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00008289 |
| SMILES | CNCC1=CC=CC=C1 |
| Synonym | n-methylbenzylamine,methylbenzylamine,n-benzylmethylamine,benzyl methyl amine,benzenemethanamine, n-methyl,benzylmethylamine,n-methy-n-benzylamine,n-benzyl-n-methylamine,benzylamine, n-methyl,n-methyl phenyl methanamine |
| IUPAC Name | N-methyl-1-phenylmethanamine |
| InChI Key | RIWRFSMVIUAEBX-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
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 |
m-Anisidine, 99%
CAS: 536-90-3 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007783 InChI Key: NCBZRJODKRCREW-UHFFFAOYSA-N Synonym: m-anisidine,3-aminoanisole,m-methoxyaniline,3-methoxybenzenamine,3-anisidine,m-aminoanisole,benzenamine, 3-methoxy,m-anisylamine,1-amino-3-methoxybenzene,unii-jxa144kx2i PubChem CID: 10824 IUPAC Name: 3-methoxyaniline SMILES: COC1=CC=CC(=C1)N
| PubChem CID | 10824 |
|---|---|
| CAS | 536-90-3 |
| Molecular Weight (g/mol) | 123.15 |
| MDL Number | MFCD00007783 |
| SMILES | COC1=CC=CC(=C1)N |
| Synonym | m-anisidine,3-aminoanisole,m-methoxyaniline,3-methoxybenzenamine,3-anisidine,m-aminoanisole,benzenamine, 3-methoxy,m-anisylamine,1-amino-3-methoxybenzene,unii-jxa144kx2i |
| IUPAC Name | 3-methoxyaniline |
| InChI Key | NCBZRJODKRCREW-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |