Benzene and substituted derivatives
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5-chloro-2-nitrobenzoic acid, 99%
CAS: 2516-95-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007290 InChI Key: ZKUYSJHXBFFGPU-UHFFFAOYSA-N Synonym: 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate PubChem CID: 17286 SMILES: C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]
| PubChem CID | 17286 |
|---|---|
| CAS | 2516-95-2 |
| Molecular Weight (g/mol) | 201.57 |
| MDL Number | MFCD00007290 |
| SMILES | C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-] |
| Synonym | 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate |
| InChI Key | ZKUYSJHXBFFGPU-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO4 |
4-Methyl-3-nitrobenzoic acid, 99%
CAS: 96-98-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007174 InChI Key: BBEWSMNRCUXQRF-UHFFFAOYSA-N PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 7319 |
|---|---|
| CAS | 96-98-0 |
| Molecular Weight (g/mol) | 181.15 |
| MDL Number | MFCD00007174 |
| SMILES | CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChI Key | BBEWSMNRCUXQRF-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
Methyl 2-chloro-4-nitrobenzoate, 98%, Thermo Scientific™
CAS: 13324-11-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00017013 InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester PubChem CID: 83343 IUPAC Name: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
| PubChem CID | 83343 |
|---|---|
| CAS | 13324-11-3 |
| Molecular Weight (g/mol) | 215.59 |
| MDL Number | MFCD00017013 |
| SMILES | COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O |
| Synonym | 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester |
| IUPAC Name | methyl 2-chloro-4-nitrobenzoate |
| InChI Key | PICNSXCJRMYANX-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO4 |
5-Methyl-2-nitrobenzoic acid, 98+%
CAS: 3113-72-2 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007368 InChI Key: QRRSIFNWHCKMSW-UHFFFAOYSA-N Synonym: 5-methyl-2-nitrobenzoic acid,2-nitro-5-methylbenzoic acid,benzoic acid, 5-methyl-2-nitro,3-methyl-6-nitrobenzoic acid,6-nitro-m-toluic acid,m-toluic acid, 6-nitro,6-nitro-p-toluic acid,5-methyl-2-nitrobenzoicacid,5-methyl-2-nitro-benzoic acid,benzoic acid,5-methyl-2-nitro PubChem CID: 18371 SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
| PubChem CID | 18371 |
|---|---|
| CAS | 3113-72-2 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007368 |
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| Synonym | 5-methyl-2-nitrobenzoic acid,2-nitro-5-methylbenzoic acid,benzoic acid, 5-methyl-2-nitro,3-methyl-6-nitrobenzoic acid,6-nitro-m-toluic acid,m-toluic acid, 6-nitro,6-nitro-p-toluic acid,5-methyl-2-nitrobenzoicacid,5-methyl-2-nitro-benzoic acid,benzoic acid,5-methyl-2-nitro |
| InChI Key | QRRSIFNWHCKMSW-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
Verapamil Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.07 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYNA-N IUPAC Name: hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride SMILES: [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC
| CAS | 152-11-4 |
|---|---|
| Molecular Weight (g/mol) | 491.07 |
| SMILES | [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC |
| IUPAC Name | hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride |
| InChI Key | DOQPXTMNIUCOSY-UHFFFAOYNA-N |
| Molecular Formula | C27H39ClN2O4 |
4-(4-morpholinylmethyl)benzonitrile, 97%, Thermo Scientific™
CAS: 37812-51-4 Molecular Formula: C12H14N2O Molecular Weight (g/mol): 202.26 MDL Number: MFCD00454271 InChI Key: BCZLYNFDOJXWGN-UHFFFAOYSA-N Synonym: 4-morpholinomethyl benzonitrile,4-morpholin-4-ylmethyl benzonitrile,usaf a-3730,p-tolunitrile, alpha-4-morpholinyl,alpha-4-morpholinyl-p-tolunitrile,benzonitrile, 4-4-morpholinylmethyl,4-4-morpholinylmethyl benzonitrile,4-morpholin-4-ylmethyl benzenecarbonitrile,4-morpholin-4-ylmethyl-benzonitrile,benzonitrile,4-4-morpholinylmethyl PubChem CID: 216864 IUPAC Name: 4-(morpholin-4-ylmethyl)benzonitrile SMILES: C1COCCN1CC2=CC=C(C=C2)C#N
| PubChem CID | 216864 |
|---|---|
| CAS | 37812-51-4 |
| Molecular Weight (g/mol) | 202.26 |
| MDL Number | MFCD00454271 |
| SMILES | C1COCCN1CC2=CC=C(C=C2)C#N |
| Synonym | 4-morpholinomethyl benzonitrile,4-morpholin-4-ylmethyl benzonitrile,usaf a-3730,p-tolunitrile, alpha-4-morpholinyl,alpha-4-morpholinyl-p-tolunitrile,benzonitrile, 4-4-morpholinylmethyl,4-4-morpholinylmethyl benzonitrile,4-morpholin-4-ylmethyl benzenecarbonitrile,4-morpholin-4-ylmethyl-benzonitrile,benzonitrile,4-4-morpholinylmethyl |
| IUPAC Name | 4-(morpholin-4-ylmethyl)benzonitrile |
| InChI Key | BCZLYNFDOJXWGN-UHFFFAOYSA-N |
| Molecular Formula | C12H14N2O |
3,5-Dimethyl-p-anisic acid, 98%, Thermo Scientific™
CAS: 21553-46-8 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00020309 InChI Key: WXVQURJGDUNJCS-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-methoxybenzoic acid,3,5-dimethyl-p-anisic acid,4-methoxy-3,5-dimethyl-benzoic acid,3,5-dimethyl anisic acid,benzoic acid, 4-methoxy-3,5-dimethyl,4-methoxy-3,5-dimethylbenzoicacid,acmc-209flo,ksc496g8f,3,5-dimethyl-4-methoxy-benzoic acid,4-methoxy-3,5-dimethyl benzoic acid PubChem CID: 88944 IUPAC Name: 4-methoxy-3,5-dimethylbenzoic acid SMILES: CC1=CC(=CC(=C1OC)C)C(=O)O
| PubChem CID | 88944 |
|---|---|
| CAS | 21553-46-8 |
| Molecular Weight (g/mol) | 180.2 |
| MDL Number | MFCD00020309 |
| SMILES | CC1=CC(=CC(=C1OC)C)C(=O)O |
| Synonym | 3,5-dimethyl-4-methoxybenzoic acid,3,5-dimethyl-p-anisic acid,4-methoxy-3,5-dimethyl-benzoic acid,3,5-dimethyl anisic acid,benzoic acid, 4-methoxy-3,5-dimethyl,4-methoxy-3,5-dimethylbenzoicacid,acmc-209flo,ksc496g8f,3,5-dimethyl-4-methoxy-benzoic acid,4-methoxy-3,5-dimethyl benzoic acid |
| IUPAC Name | 4-methoxy-3,5-dimethylbenzoic acid |
| InChI Key | WXVQURJGDUNJCS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
3-Benzyloxyaniline, 98%
CAS: 1484-26-0 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.253 MDL Number: MFCD00007784 InChI Key: IGPFOKFDBICQMC-UHFFFAOYSA-N Synonym: 3-benzyloxyaniline,3-benzyloxy aniline,benzenamine, 3-phenylmethoxy,unii-iab1vda972,3-benzyloxy-phenylamine,iab1vda972,3-phenylmethyl oxy aniline,3-phenylmethoxy phenylamine,3-benzyloxy benzenamine,3-benyloxyaniline PubChem CID: 92892 IUPAC Name: 3-phenylmethoxyaniline SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)N
| PubChem CID | 92892 |
|---|---|
| CAS | 1484-26-0 |
| Molecular Weight (g/mol) | 199.253 |
| MDL Number | MFCD00007784 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)N |
| Synonym | 3-benzyloxyaniline,3-benzyloxy aniline,benzenamine, 3-phenylmethoxy,unii-iab1vda972,3-benzyloxy-phenylamine,iab1vda972,3-phenylmethyl oxy aniline,3-phenylmethoxy phenylamine,3-benzyloxy benzenamine,3-benyloxyaniline |
| IUPAC Name | 3-phenylmethoxyaniline |
| InChI Key | IGPFOKFDBICQMC-UHFFFAOYSA-N |
| Molecular Formula | C13H13NO |
3-Phenoxyphenylacetic acid, 98%
CAS: 32852-81-6 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00016826 InChI Key: LEMRHTTWKDVQEI-UHFFFAOYSA-N Synonym: 3-phenoxyphenylacetic acid,2-3-phenoxyphenyl acetic acid,3-phenoxyphenyl acetic acid,3-phenoxy-phenyl-acetic acid,benzeneacetic acid, 3-phenoxy,3-phenoxyphenylaceticacid,m-phenoxyphenylacetic acid,acmc-20a35b,3-phenoxybenzeneacetic acid,3-phenoxyphenyl-acetic acid PubChem CID: 141749 IUPAC Name: 2-(3-phenoxyphenyl)acetic acid SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CC(=O)O
| PubChem CID | 141749 |
|---|---|
| CAS | 32852-81-6 |
| Molecular Weight (g/mol) | 228.247 |
| MDL Number | MFCD00016826 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CC(=O)O |
| Synonym | 3-phenoxyphenylacetic acid,2-3-phenoxyphenyl acetic acid,3-phenoxyphenyl acetic acid,3-phenoxy-phenyl-acetic acid,benzeneacetic acid, 3-phenoxy,3-phenoxyphenylaceticacid,m-phenoxyphenylacetic acid,acmc-20a35b,3-phenoxybenzeneacetic acid,3-phenoxyphenyl-acetic acid |
| IUPAC Name | 2-(3-phenoxyphenyl)acetic acid |
| InChI Key | LEMRHTTWKDVQEI-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
Hydroxy(tosyloxy)iodobenzene, 97%
CAS: 27126-76-7 Molecular Formula: C13H13IO4S Molecular Weight (g/mol): 392.207 MDL Number: MFCD00011547 InChI Key: LRIUKPUCKCECPT-UHFFFAOYSA-N Synonym: hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide PubChem CID: 325434 IUPAC Name: [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O
| PubChem CID | 325434 |
|---|---|
| CAS | 27126-76-7 |
| Molecular Weight (g/mol) | 392.207 |
| MDL Number | MFCD00011547 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O |
| Synonym | hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide |
| IUPAC Name | [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate |
| InChI Key | LRIUKPUCKCECPT-UHFFFAOYSA-N |
| Molecular Formula | C13H13IO4S |
4-Butylacetophenone, Spectrum™ Chemical
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CAS: 37920-25-5
| CAS | 37920-25-5 |
|---|
4-Hydroxy-3-methoxybenzoic acid, 97+%
CAS: 121-34-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002551 InChI Key: WKOLLVMJNQIZCI-UHFFFAOYSA-N Synonym: vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 PubChem CID: 8468 ChEBI: CHEBI:30816 IUPAC Name: 4-hydroxy-3-methoxybenzoic acid SMILES: COC1=CC(=CC=C1O)C(O)=O
| PubChem CID | 8468 |
|---|---|
| CAS | 121-34-6 |
| Molecular Weight (g/mol) | 168.15 |
| ChEBI | CHEBI:30816 |
| MDL Number | MFCD00002551 |
| SMILES | COC1=CC(=CC=C1O)C(O)=O |
| Synonym | vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| InChI Key | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
1-(2,3-Dihydrobenzo[b]furan-5-yl)ethan-1-one, 97%, Thermo Scientific™
CAS: 90843-31-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00068033 InChI Key: MMVUJVASBDVNGJ-UHFFFAOYSA-N Synonym: 5-acetyl-2,3-dihydrobenzo b furan,5-acetyl-2,3-dihydrobenzofuran,1-2,3-dihydro-1-benzofuran-5-yl ethanone,1-2,3-dihydrobenzofuran-5-yl ethanone,1-2,3-dihydrobenzo b furan-5-yl ethan-1-one,1-2,3-dihydro-benzofuran-5-yl-ethanone,1-2,3-dihydro-5-benzofuranyl ethanone,1-2,3-dihydro-1-benzofuran-5-yl ethan-1-one,5-acetyl-2,3-dihydro-1-benzofuran PubChem CID: 145220 IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone SMILES: CC(=O)C1=CC=C2OCCC2=C1
| PubChem CID | 145220 |
|---|---|
| CAS | 90843-31-5 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00068033 |
| SMILES | CC(=O)C1=CC=C2OCCC2=C1 |
| Synonym | 5-acetyl-2,3-dihydrobenzo b furan,5-acetyl-2,3-dihydrobenzofuran,1-2,3-dihydro-1-benzofuran-5-yl ethanone,1-2,3-dihydrobenzofuran-5-yl ethanone,1-2,3-dihydrobenzo b furan-5-yl ethan-1-one,1-2,3-dihydro-benzofuran-5-yl-ethanone,1-2,3-dihydro-5-benzofuranyl ethanone,1-2,3-dihydro-1-benzofuran-5-yl ethan-1-one,5-acetyl-2,3-dihydro-1-benzofuran |
| IUPAC Name | 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone |
| InChI Key | MMVUJVASBDVNGJ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
Allyl phenyl ether, 99%
CAS: 1746-13-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00008644 InChI Key: POSICDHOUBKJKP-UHFFFAOYSA-N Synonym: allyl phenyl ether,allyloxy benzene,allyloxybenzene,benzene, 2-propenyloxy,allyl phenoxylate,phenyl allyl ether,ether, allyl phenyl,3-phenoxypropene,phenylpropenyl ether,phenyl 2-propenyl ether PubChem CID: 74458 IUPAC Name: prop-2-enoxybenzene SMILES: C=CCOC1=CC=CC=C1
| PubChem CID | 74458 |
|---|---|
| CAS | 1746-13-0 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00008644 |
| SMILES | C=CCOC1=CC=CC=C1 |
| Synonym | allyl phenyl ether,allyloxy benzene,allyloxybenzene,benzene, 2-propenyloxy,allyl phenoxylate,phenyl allyl ether,ether, allyl phenyl,3-phenoxypropene,phenylpropenyl ether,phenyl 2-propenyl ether |
| IUPAC Name | prop-2-enoxybenzene |
| InChI Key | POSICDHOUBKJKP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2-Phenoxybenzyl bromide, 97%
CAS: 82657-72-5 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.134 MDL Number: MFCD01320513 InChI Key: YQRIQBOWLXRKKG-UHFFFAOYSA-N Synonym: 1-bromomethyl-2-phenoxybenzene,2-phenoxybenzyl bromide,benzene, bromomethylphenoxy,acmc-20eqyy,2-bromomethylphenyl phenyl ether,1-bromomethyl-2-phenoxy-benzene,2-bromomethyl-1-phenoxybenzene,1-2-bromomethyl phenoxy benzene,1-bromomethyl-2-phenyloxy benzene,benzene, 1-bromomethyl-2-phenoxy PubChem CID: 22675469 IUPAC Name: 1-(bromomethyl)-2-phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2CBr
| PubChem CID | 22675469 |
|---|---|
| CAS | 82657-72-5 |
| Molecular Weight (g/mol) | 263.134 |
| MDL Number | MFCD01320513 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2CBr |
| Synonym | 1-bromomethyl-2-phenoxybenzene,2-phenoxybenzyl bromide,benzene, bromomethylphenoxy,acmc-20eqyy,2-bromomethylphenyl phenyl ether,1-bromomethyl-2-phenoxy-benzene,2-bromomethyl-1-phenoxybenzene,1-2-bromomethyl phenoxy benzene,1-bromomethyl-2-phenyloxy benzene,benzene, 1-bromomethyl-2-phenoxy |
| IUPAC Name | 1-(bromomethyl)-2-phenoxybenzene |
| InChI Key | YQRIQBOWLXRKKG-UHFFFAOYSA-N |
| Molecular Formula | C13H11BrO |