Benzene and substituted derivatives
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Isobutyl 4-hydroxybenzoate, 98%
CAS: 2-3-4247 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020167 InChI Key: XPJVKCRENWUEJH-UHFFFAOYSA-N Synonym: isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g PubChem CID: 20240 IUPAC Name: 2-methylpropyl 4-hydroxybenzoate SMILES: CC(C)COC(=O)C1=CC=C(C=C1)O
| PubChem CID | 20240 |
|---|---|
| CAS | 2-3-4247 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00020167 |
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)O |
| Synonym | isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g |
| IUPAC Name | 2-methylpropyl 4-hydroxybenzoate |
| InChI Key | XPJVKCRENWUEJH-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Methyl Salicylate, FCC, 98%, Spectrum™ Chemical
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CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O
| CAS | 119-36-8 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| SMILES | COC(=O)C1=CC=CC=C1O |
| IUPAC Name | methyl 2-hydroxybenzoate |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Methyl 5-iodosalicylate, 99%
CAS: 4068-75-1 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD00016462 InChI Key: NRSWJTRJHPRZMH-UHFFFAOYSA-N PubChem CID: 248910 IUPAC Name: methyl 2-hydroxy-5-iodobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)I)O
| PubChem CID | 248910 |
|---|---|
| CAS | 4068-75-1 |
| Molecular Weight (g/mol) | 278.045 |
| MDL Number | MFCD00016462 |
| SMILES | COC(=O)C1=C(C=CC(=C1)I)O |
| IUPAC Name | methyl 2-hydroxy-5-iodobenzoate |
| InChI Key | NRSWJTRJHPRZMH-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO3 |
Methyl 4-methylsalicylate, 98+%
CAS: 4670-56-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00020130 InChI Key: UITFCFWKYAOJEJ-UHFFFAOYSA-N Synonym: methyl 4-methylsalicylate,methyl-4-methylsalicylate,benzoic acid, 2-hydroxy-4-methyl-, methyl ester,4-methylsalicylic acid methyl ester,methyl-4-methyl salicylate,methyl m-cresotate,2-hydroxy-4-methylbenzoic acid methyl ester,methyl 2-hydroxy-4-methyl-benzoate,2-hydroxy-4-methyl-benzoic acid methyl ester,methyl methylsalicylate PubChem CID: 78400 IUPAC Name: methyl 2-hydroxy-4-methylbenzoate SMILES: CC1=CC(=C(C=C1)C(=O)OC)O
| PubChem CID | 78400 |
|---|---|
| CAS | 4670-56-8 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00020130 |
| SMILES | CC1=CC(=C(C=C1)C(=O)OC)O |
| Synonym | methyl 4-methylsalicylate,methyl-4-methylsalicylate,benzoic acid, 2-hydroxy-4-methyl-, methyl ester,4-methylsalicylic acid methyl ester,methyl-4-methyl salicylate,methyl m-cresotate,2-hydroxy-4-methylbenzoic acid methyl ester,methyl 2-hydroxy-4-methyl-benzoate,2-hydroxy-4-methyl-benzoic acid methyl ester,methyl methylsalicylate |
| IUPAC Name | methyl 2-hydroxy-4-methylbenzoate |
| InChI Key | UITFCFWKYAOJEJ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Benzyl salicylate, 99%
CAS: 118-58-1 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00020034 InChI Key: ZCTQGTTXIYCGGC-UHFFFAOYSA-N Synonym: benzyl salicylate,benzyl o-hydroxybenzoate,salicylic acid, benzyl ester,benzoic acid, 2-hydroxy-, phenylmethyl ester,phenylmethyl 2-hydroxybenzoate,salicylic acid benzyl ester,salicyclic acid, benzyl ester,salicylsaeurebenzylester,unii-wao5mnk9tu,salicyclic acid benzyl ester PubChem CID: 8363 IUPAC Name: benzyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
| PubChem CID | 8363 |
|---|---|
| CAS | 118-58-1 |
| Molecular Weight (g/mol) | 228.247 |
| MDL Number | MFCD00020034 |
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O |
| Synonym | benzyl salicylate,benzyl o-hydroxybenzoate,salicylic acid, benzyl ester,benzoic acid, 2-hydroxy-, phenylmethyl ester,phenylmethyl 2-hydroxybenzoate,salicylic acid benzyl ester,salicyclic acid, benzyl ester,salicylsaeurebenzylester,unii-wao5mnk9tu,salicyclic acid benzyl ester |
| IUPAC Name | benzyl 2-hydroxybenzoate |
| InChI Key | ZCTQGTTXIYCGGC-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
3-Hydroxy-4-(methoxycarbonyl)phenylboronic acid pinacol ester, 97%
CAS: 1073371-99-9 Molecular Formula: C14H19BO5 Molecular Weight (g/mol): 278.11 MDL Number: MFCD08458200 InChI Key: SRYGMLVCVMGUTB-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,3-hydroxy-4-methoxycarbonylphenylboronic acid, pinacol ester,methyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl salicylate,methyl 2-hydroxy-4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate PubChem CID: 17998928 IUPAC Name: methyl 2-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate SMILES: COC(=O)C1=C(O)C=C(C=C1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 17998928 |
|---|---|
| CAS | 1073371-99-9 |
| Molecular Weight (g/mol) | 278.11 |
| MDL Number | MFCD08458200 |
| SMILES | COC(=O)C1=C(O)C=C(C=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | methyl 2-hydroxy-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate,3-hydroxy-4-methoxycarbonylphenylboronic acid, pinacol ester,methyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl salicylate,methyl 2-hydroxy-4-tetramethyl-1,3,2-dioxaborolan-2-yl benzoate |
| IUPAC Name | methyl 2-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI Key | SRYGMLVCVMGUTB-UHFFFAOYSA-N |
| Molecular Formula | C14H19BO5 |
Methyl 4-hydroxy-3-iodobenzoate, 98%
CAS: 15126-06-4 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD05664378 InChI Key: PXNOLLHARLSLHY-UHFFFAOYSA-N Synonym: methyl4-hydroxy-3-iodobenzoate,methyl 3-iodo-4-hydroxybenzoate,methyl 4-hydroxy-3-iodo-benzoate,4-hydroxy-3-iodobenzoic acid methyl ester,4-hydroxy-3-iodo-benzoic acid methyl ester,benzoic acid, 4-hydroxy-3-iodo-, methyl ester,4-hydroxy-3-iodo-benzoicacidmethylester,acmc-209zk0,ksc495e2f,methyl 4-hydroxy-3-iodbenzoate PubChem CID: 11346465 IUPAC Name: methyl 4-hydroxy-3-iodobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)O)I
| PubChem CID | 11346465 |
|---|---|
| CAS | 15126-06-4 |
| Molecular Weight (g/mol) | 278.045 |
| MDL Number | MFCD05664378 |
| SMILES | COC(=O)C1=CC(=C(C=C1)O)I |
| Synonym | methyl4-hydroxy-3-iodobenzoate,methyl 3-iodo-4-hydroxybenzoate,methyl 4-hydroxy-3-iodo-benzoate,4-hydroxy-3-iodobenzoic acid methyl ester,4-hydroxy-3-iodo-benzoic acid methyl ester,benzoic acid, 4-hydroxy-3-iodo-, methyl ester,4-hydroxy-3-iodo-benzoicacidmethylester,acmc-209zk0,ksc495e2f,methyl 4-hydroxy-3-iodbenzoate |
| IUPAC Name | methyl 4-hydroxy-3-iodobenzoate |
| InChI Key | PXNOLLHARLSLHY-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO3 |
Ethyl 3-hydroxybenzoate, 99%
CAS: 7781-98-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002296 InChI Key: MWSMNBYIEBRXAL-UHFFFAOYSA-N Synonym: ethyl-3-hydroxybenzoate,benzoic acid, 3-hydroxy-, ethyl ester,3-hydroxybenzoic acid ethyl ester,m-ethoxycarbonylphenol,ethyl m-hydroxybenzoate,3-hydroxy-benzoic acid ethyl ester,benzoic acid, m-hydroxy-, ethyl ester,pubchem19923,acmc-209pbw,ethyl 3-oxidanylbenzoate PubChem CID: 24522 IUPAC Name: ethyl 3-hydroxybenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)O
| PubChem CID | 24522 |
|---|---|
| CAS | 7781-98-8 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002296 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)O |
| Synonym | ethyl-3-hydroxybenzoate,benzoic acid, 3-hydroxy-, ethyl ester,3-hydroxybenzoic acid ethyl ester,m-ethoxycarbonylphenol,ethyl m-hydroxybenzoate,3-hydroxy-benzoic acid ethyl ester,benzoic acid, m-hydroxy-, ethyl ester,pubchem19923,acmc-209pbw,ethyl 3-oxidanylbenzoate |
| IUPAC Name | ethyl 3-hydroxybenzoate |
| InChI Key | MWSMNBYIEBRXAL-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Ethyl 4-hydroxybenzoate, 99%
CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 8434 |
|---|---|
| CAS | 120-47-8 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:86616 |
| MDL Number | MFCD00002353 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)O |
| Synonym | ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e |
| IUPAC Name | ethyl 4-hydroxybenzoate |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Methyl 3-amino-5-hydroxybenzoate, 97%, Thermo Scientific™
CAS: 67973-80-2 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD09263220 InChI Key: DMNGQQIFOZYIRA-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxy-benzoic acid methyl ester,benzoic acid, 3-amino-5-hydroxy-, methyl ester,pubchem17212,acmc-1bgay,dmngqqifozyira-uhfffaoysa,methyl 3-amino-5-hydroxy-benzoate,3-amino-5-methoxycarbonyl phenol,3-hydroxy-5-methoxycarbonyl aniline,3-amino-5-hydroxybenzoic acid methyl ester,5-amino-3-hydroxybenzoic acid methyl ester PubChem CID: 12438277 IUPAC Name: methyl 3-amino-5-hydroxybenzoate SMILES: COC(=O)C1=CC(=CC(=C1)O)N
| PubChem CID | 12438277 |
|---|---|
| CAS | 67973-80-2 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD09263220 |
| SMILES | COC(=O)C1=CC(=CC(=C1)O)N |
| Synonym | 3-amino-5-hydroxy-benzoic acid methyl ester,benzoic acid, 3-amino-5-hydroxy-, methyl ester,pubchem17212,acmc-1bgay,dmngqqifozyira-uhfffaoysa,methyl 3-amino-5-hydroxy-benzoate,3-amino-5-methoxycarbonyl phenol,3-hydroxy-5-methoxycarbonyl aniline,3-amino-5-hydroxybenzoic acid methyl ester,5-amino-3-hydroxybenzoic acid methyl ester |
| IUPAC Name | methyl 3-amino-5-hydroxybenzoate |
| InChI Key | DMNGQQIFOZYIRA-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
sec-Butyl 4-Hydroxybenzoate, Spectrum™ Chemical
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CAS: 17696-61-6
| CAS | 17696-61-6 |
|---|
Butylparaben, NF, 98-102%, Spectrum™ Chemical
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CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(O)C=C1
| CAS | 94-26-8 |
|---|---|
| Molecular Weight (g/mol) | 194.23 |
| SMILES | CCCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | butyl 4-hydroxybenzoate |
| InChI Key | QFOHBWFCKVYLES-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Methyl 2-hydroxy-3-methylbenzoate, 97%
CAS: 23287-26-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00020051 InChI Key: SUHLUMKZPUMAFP-UHFFFAOYSA-N Synonym: methyl 3-methylsalicylate,methyl o-cresotinate,benzoic acid, 2-hydroxy-3-methyl-, methyl ester,levegal pt,2-hydroxy-3-methylbenzoic acid methyl ester,2,3-cresotic acid, methyl ester,methyl-3-methylsalicylate,methyl 2-hydroxy-3-methyl-benzoate,methyl o-cresotate,3-methylsalicylic acid methyl ester PubChem CID: 31835 IUPAC Name: methyl 2-hydroxy-3-methylbenzoate SMILES: COC(=O)C1=CC=CC(C)=C1O
| PubChem CID | 31835 |
|---|---|
| CAS | 23287-26-5 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00020051 |
| SMILES | COC(=O)C1=CC=CC(C)=C1O |
| Synonym | methyl 3-methylsalicylate,methyl o-cresotinate,benzoic acid, 2-hydroxy-3-methyl-, methyl ester,levegal pt,2-hydroxy-3-methylbenzoic acid methyl ester,2,3-cresotic acid, methyl ester,methyl-3-methylsalicylate,methyl 2-hydroxy-3-methyl-benzoate,methyl o-cresotate,3-methylsalicylic acid methyl ester |
| IUPAC Name | methyl 2-hydroxy-3-methylbenzoate |
| InChI Key | SUHLUMKZPUMAFP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
1,2-Dichloro-4-iodobenzene, 98%
CAS: 20555-91-3 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.894 MDL Number: MFCD00019014 InChI Key: NADPFZNWCQIJJW-UHFFFAOYSA-N Synonym: 3,4-dichloroiodobenzene,benzene, 1,2-dichloro-4-iodo,maybridge1_001437,pubchem3691,acmc-209fbv,3,4-dichloro-iodobenzene,1,2-dichloro-5-iodobenzene,1-iodo-3,4-dichlorobenzene,3,4-dichloro-1-iodobenzene,4-iodo-1,2-dichlorobenzene PubChem CID: 88591 IUPAC Name: 1,2-dichloro-4-iodobenzene SMILES: C1=CC(=C(C=C1I)Cl)Cl
| PubChem CID | 88591 |
|---|---|
| CAS | 20555-91-3 |
| Molecular Weight (g/mol) | 272.894 |
| MDL Number | MFCD00019014 |
| SMILES | C1=CC(=C(C=C1I)Cl)Cl |
| Synonym | 3,4-dichloroiodobenzene,benzene, 1,2-dichloro-4-iodo,maybridge1_001437,pubchem3691,acmc-209fbv,3,4-dichloro-iodobenzene,1,2-dichloro-5-iodobenzene,1-iodo-3,4-dichlorobenzene,3,4-dichloro-1-iodobenzene,4-iodo-1,2-dichlorobenzene |
| IUPAC Name | 1,2-dichloro-4-iodobenzene |
| InChI Key | NADPFZNWCQIJJW-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2I |
1-Iodo-3-nitrobenzene, 99%
CAS: 645-00-1 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.007 MDL Number: MFCD00007218 InChI Key: CBYAZOKPJYBCHE-UHFFFAOYSA-N Synonym: 3-iodonitrobenzene,m-iodonitrobenzene,benzene, 1-iodo-3-nitro,3-nitroiodobenzene,meta-iodonitrobenzene,3-i-nitrobenzene,iodo-3-nitrobenzene,meta-nitroiodobenzene,1-iodo-3-nitro-benzene,3-nitro-iodobenzen PubChem CID: 12574 ChEBI: CHEBI:67123 IUPAC Name: 1-iodo-3-nitrobenzene SMILES: C1=CC(=CC(=C1)I)[N+](=O)[O-]
| PubChem CID | 12574 |
|---|---|
| CAS | 645-00-1 |
| Molecular Weight (g/mol) | 249.007 |
| ChEBI | CHEBI:67123 |
| MDL Number | MFCD00007218 |
| SMILES | C1=CC(=CC(=C1)I)[N+](=O)[O-] |
| Synonym | 3-iodonitrobenzene,m-iodonitrobenzene,benzene, 1-iodo-3-nitro,3-nitroiodobenzene,meta-iodonitrobenzene,3-i-nitrobenzene,iodo-3-nitrobenzene,meta-nitroiodobenzene,1-iodo-3-nitro-benzene,3-nitro-iodobenzen |
| IUPAC Name | 1-iodo-3-nitrobenzene |
| InChI Key | CBYAZOKPJYBCHE-UHFFFAOYSA-N |
| Molecular Formula | C6H4INO2 |