Benzene and substituted derivatives
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Methyl 2,4-dihydroxybenzoate, 97%
CAS: 2150-47-2 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002276 InChI Key: IIFCLXHRIYTHPV-UHFFFAOYSA-N Synonym: 2,4-dihydroxybenzoic acid methyl ester,benzoic acid, 2,4-dihydroxy-, methyl ester,methyl beta-resorcylate,methyl-2,4-dihydroxybenzoate,unii-xe68bu3oyj,xe68bu3oyj,.beta.-resorcylic acid, methyl ester,beta-resorcylic acid methyl ester,methyl benzoate, 2,4-dihydroxy,methyl b-resorcylate PubChem CID: 16523 IUPAC Name: methyl 2,4-dihydroxybenzoate SMILES: COC(=O)C1=C(C=C(C=C1)O)O
| PubChem CID | 16523 |
|---|---|
| CAS | 2150-47-2 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00002276 |
| SMILES | COC(=O)C1=C(C=C(C=C1)O)O |
| Synonym | 2,4-dihydroxybenzoic acid methyl ester,benzoic acid, 2,4-dihydroxy-, methyl ester,methyl beta-resorcylate,methyl-2,4-dihydroxybenzoate,unii-xe68bu3oyj,xe68bu3oyj,.beta.-resorcylic acid, methyl ester,beta-resorcylic acid methyl ester,methyl benzoate, 2,4-dihydroxy,methyl b-resorcylate |
| IUPAC Name | methyl 2,4-dihydroxybenzoate |
| InChI Key | IIFCLXHRIYTHPV-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
2-(2-Bromophenyl)-1,3-dioxolane, 98%
CAS: 34824-58-3 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00155124 InChI Key: IWSGKSUCFVOWQU-UHFFFAOYSA-N Synonym: 2-2-bromophenyl-1,3-dioxolane,2-bromobenzaldehyde ethylene acetal,1,3-dioxolane, 2-2-bromophenyl,1-bromo-2-1,3-dioxolan-2-yl benzene,2-bromophenyldioxolane,2-bromo benzaldehyde ethylene glycol acetal,2-2-bromo-phenyl-1,3 dioxolane,pubchem3729,acmc-1csyy,bromobenzaldehyde ethylene acetal PubChem CID: 553534 IUPAC Name: 2-(2-bromophenyl)-1,3-dioxolane SMILES: BrC1=CC=CC=C1C1OCCO1
| PubChem CID | 553534 |
|---|---|
| CAS | 34824-58-3 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00155124 |
| SMILES | BrC1=CC=CC=C1C1OCCO1 |
| Synonym | 2-2-bromophenyl-1,3-dioxolane,2-bromobenzaldehyde ethylene acetal,1,3-dioxolane, 2-2-bromophenyl,1-bromo-2-1,3-dioxolan-2-yl benzene,2-bromophenyldioxolane,2-bromo benzaldehyde ethylene glycol acetal,2-2-bromo-phenyl-1,3 dioxolane,pubchem3729,acmc-1csyy,bromobenzaldehyde ethylene acetal |
| IUPAC Name | 2-(2-bromophenyl)-1,3-dioxolane |
| InChI Key | IWSGKSUCFVOWQU-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
1-Bromo-2,4-dinitrobenzene, MP Biomedicals
CAS: 584-48-5 Molecular Formula: C6H3BrN2O4 Molecular Weight (g/mol): 247.004 InChI Key: PBOPJYORIDJAFE-UHFFFAOYSA-N Synonym: 2,4-dinitrobromobenzene,4-bromo-1,3-dinitrobenzene,o,p-dinitrophenyl bromide,2,4-dinitrophenyl bromide,dnbb,benzene, 1-bromo-2,4-dinitro,2, 4-dinitrobromobenzene,1-bromo-2,4-dinitrobenze,unii-4ms3ftw380,ccris 1801 PubChem CID: 11441 ChEBI: CHEBI:58999 IUPAC Name: 1-bromo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
| PubChem CID | 11441 |
|---|---|
| CAS | 584-48-5 |
| Molecular Weight (g/mol) | 247.004 |
| ChEBI | CHEBI:58999 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br |
| Synonym | 2,4-dinitrobromobenzene,4-bromo-1,3-dinitrobenzene,o,p-dinitrophenyl bromide,2,4-dinitrophenyl bromide,dnbb,benzene, 1-bromo-2,4-dinitro,2, 4-dinitrobromobenzene,1-bromo-2,4-dinitrobenze,unii-4ms3ftw380,ccris 1801 |
| IUPAC Name | 1-bromo-2,4-dinitrobenzene |
| InChI Key | PBOPJYORIDJAFE-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2O4 |
Methylparaben, NF, 98-102%, Spectrum™ Chemical
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CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N IUPAC Name: methyl 4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(O)C=C1
| CAS | 99-76-3 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| SMILES | COC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | methyl 4-hydroxybenzoate |
| InChI Key | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
1-Bromo-2,4-dichlorobenzene, 98%
CAS: 1193-72-2 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.894 MDL Number: MFCD00018333 InChI Key: ISHYFWKKWKXXPL-UHFFFAOYSA-N Synonym: 2,4-dichlorobromobenzene,bromo 2--4-dichlorobenzene,1-bromo-2,4-dichloro-benzene,benzene, 1-bromo-2,4-dichloro,pubchem3608,2,4-dichlorobromobenze,2,4-dichloro-bromobenzene,acmc-209a2k,2,4-dichloro-1-bromobenzene,ksc490m9l PubChem CID: 70947 IUPAC Name: 1-bromo-2,4-dichlorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)Br
| PubChem CID | 70947 |
|---|---|
| CAS | 1193-72-2 |
| Molecular Weight (g/mol) | 225.894 |
| MDL Number | MFCD00018333 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)Br |
| Synonym | 2,4-dichlorobromobenzene,bromo 2--4-dichlorobenzene,1-bromo-2,4-dichloro-benzene,benzene, 1-bromo-2,4-dichloro,pubchem3608,2,4-dichlorobromobenze,2,4-dichloro-bromobenzene,acmc-209a2k,2,4-dichloro-1-bromobenzene,ksc490m9l |
| IUPAC Name | 1-bromo-2,4-dichlorobenzene |
| InChI Key | ISHYFWKKWKXXPL-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2 |
Methyl 4-iodosalicylate, 98%
CAS: 18179-39-0 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD06797864 InChI Key: WUFUURSWOJROKY-UHFFFAOYSA-N Synonym: methyl 4-iodosalicylate,2-hydroxy-4-iodobenzoic acid methyl ester,benzoic acid,2-hydroxy-4-iodo-, methyl ester,methyl-4-iodosalicylate,methyl 4-iodosalicyclate,acmc-1c81e,methyl2-hydroxy-4-iodobenzoate,methyl 4-iodo-2-hydroxybenzoate,methyl-2-hydroxy-4-iodo-benzoate PubChem CID: 11380407 IUPAC Name: methyl 2-hydroxy-4-iodobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)I)O
| PubChem CID | 11380407 |
|---|---|
| CAS | 18179-39-0 |
| Molecular Weight (g/mol) | 278.045 |
| MDL Number | MFCD06797864 |
| SMILES | COC(=O)C1=C(C=C(C=C1)I)O |
| Synonym | methyl 4-iodosalicylate,2-hydroxy-4-iodobenzoic acid methyl ester,benzoic acid,2-hydroxy-4-iodo-, methyl ester,methyl-4-iodosalicylate,methyl 4-iodosalicyclate,acmc-1c81e,methyl2-hydroxy-4-iodobenzoate,methyl 4-iodo-2-hydroxybenzoate,methyl-2-hydroxy-4-iodo-benzoate |
| IUPAC Name | methyl 2-hydroxy-4-iodobenzoate |
| InChI Key | WUFUURSWOJROKY-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO3 |
Methyl Salicylate, NF, 98-102%, 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 3,5-dibromo-4-hydroxybenzoate, 98%
CAS: 41727-47-3 Molecular Formula: C8H6Br2O3 Molecular Weight (g/mol): 309.941 MDL Number: MFCD00016416 InChI Key: NVGJGYZKXBLIKY-UHFFFAOYSA-N Synonym: 3,5-dibromo-4-hydroxybenzoic acid methyl ester,3,5-dibromo-4-hydroxy-benzoic acid methyl ester,methyl 3,5-bis bromanyl-4-oxidanyl-benzoate,acmc-20akhs,pubchem3978,methyl dibromosalicylate,rarechem al bf 0231,timtec-bb sbb012530,labotest-bb lt00455670,labotest-bb lt03332530 PubChem CID: 726975 IUPAC Name: methyl 3,5-dibromo-4-hydroxybenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)Br)O)Br
| PubChem CID | 726975 |
|---|---|
| CAS | 41727-47-3 |
| Molecular Weight (g/mol) | 309.941 |
| MDL Number | MFCD00016416 |
| SMILES | COC(=O)C1=CC(=C(C(=C1)Br)O)Br |
| Synonym | 3,5-dibromo-4-hydroxybenzoic acid methyl ester,3,5-dibromo-4-hydroxy-benzoic acid methyl ester,methyl 3,5-bis bromanyl-4-oxidanyl-benzoate,acmc-20akhs,pubchem3978,methyl dibromosalicylate,rarechem al bf 0231,timtec-bb sbb012530,labotest-bb lt00455670,labotest-bb lt03332530 |
| IUPAC Name | methyl 3,5-dibromo-4-hydroxybenzoate |
| InChI Key | NVGJGYZKXBLIKY-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O3 |
Methyl 3-bromo-5-hydroxybenzoate, 97%, Thermo Scientific Chemicals
CAS: 192810-12-1 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD10566800 InChI Key: KRTBWIIGEJIUSA-UHFFFAOYSA-N Synonym: 3-bromo-5-hydroxybenzoic acid methyl ester,acmc-209f1w,methyl3-bromo-5-hydroxybenzoate,methyl 3-bromo-5-hydroxylbenzoate,3-bromo-5-hydroxy-benzoic acid methyl ester,benzoic acid,3-bromo-5-hydroxy-,methyl ester,benzoic acid, 3-bromo-5-hydroxy-, methyl ester PubChem CID: 53216607 IUPAC Name: methyl 3-bromo-5-hydroxybenzoate SMILES: COC(=O)C1=CC(=CC(=C1)Br)O
| PubChem CID | 53216607 |
|---|---|
| CAS | 192810-12-1 |
| Molecular Weight (g/mol) | 231.045 |
| MDL Number | MFCD10566800 |
| SMILES | COC(=O)C1=CC(=CC(=C1)Br)O |
| Synonym | 3-bromo-5-hydroxybenzoic acid methyl ester,acmc-209f1w,methyl3-bromo-5-hydroxybenzoate,methyl 3-bromo-5-hydroxylbenzoate,3-bromo-5-hydroxy-benzoic acid methyl ester,benzoic acid,3-bromo-5-hydroxy-,methyl ester,benzoic acid, 3-bromo-5-hydroxy-, methyl ester |
| IUPAC Name | methyl 3-bromo-5-hydroxybenzoate |
| InChI Key | KRTBWIIGEJIUSA-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
2-Bromophenylacetic acid, 98+%
CAS: 18698-97-0 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00004314 InChI Key: DWXSYDKEWORWBT-UHFFFAOYSA-N Synonym: 2-bromophenylacetic acid,2-2-bromophenyl acetic acid,o-bromophenylacetic acid,2-bromophenyl acetic acid,benzeneacetic acid, 2-bromo,2-bromophenylaceticacid,2-bromo-phenyl-acetic acid,pubchem7214,acmc-1btqg PubChem CID: 87754 IUPAC Name: 2-(2-bromophenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)Br
| PubChem CID | 87754 |
|---|---|
| CAS | 18698-97-0 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00004314 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)Br |
| Synonym | 2-bromophenylacetic acid,2-2-bromophenyl acetic acid,o-bromophenylacetic acid,2-bromophenyl acetic acid,benzeneacetic acid, 2-bromo,2-bromophenylaceticacid,2-bromo-phenyl-acetic acid,pubchem7214,acmc-1btqg |
| IUPAC Name | 2-(2-bromophenyl)acetic acid |
| InChI Key | DWXSYDKEWORWBT-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
m-Bromotoluene, MP Biomedicals
CAS: 591-17-3 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000085 InChI Key: WJIFKOVZNJTSGO-UHFFFAOYSA-N Synonym: 3-bromotoluene,m-bromotoluene,3-methylbromobenzene,benzene, 1-bromo-3-methyl,m-tolyl bromide,toluene, m-bromo,5-bromotoluene,3-bromo-1-methylbenzene,m-methylbromobenzene,3-methyl-1-bromobenzene PubChem CID: 11560 IUPAC Name: 1-bromo-3-methylbenzene SMILES: CC1=CC=CC(Br)=C1
| PubChem CID | 11560 |
|---|---|
| CAS | 591-17-3 |
| Molecular Weight (g/mol) | 171.04 |
| MDL Number | MFCD00000085 |
| SMILES | CC1=CC=CC(Br)=C1 |
| Synonym | 3-bromotoluene,m-bromotoluene,3-methylbromobenzene,benzene, 1-bromo-3-methyl,m-tolyl bromide,toluene, m-bromo,5-bromotoluene,3-bromo-1-methylbenzene,m-methylbromobenzene,3-methyl-1-bromobenzene |
| IUPAC Name | 1-bromo-3-methylbenzene |
| InChI Key | WJIFKOVZNJTSGO-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br |
Propylparaben, NF, BP, EP, 98-102%, Spectrum™ Chemical
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CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(O)C=C1
| CAS | 94-13-3 |
|---|---|
| Molecular Weight (g/mol) | 180.20 |
| SMILES | CCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Ethyl 4-hydroxybenzoate, 99%
CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 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) | 166.18 |
| 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 |
2,2'-Dibromobiphenyl, 98%
CAS: 13029-09-9 Molecular Formula: C12H8Br2 Molecular Weight (g/mol): 312.01 MDL Number: MFCD00093707 InChI Key: DRKHIWKXLZCAKP-UHFFFAOYSA-N Synonym: 2,2'-dibromobiphenyl,2,2'-dibromo-1,1'-biphenyl,o,o'-dibromobiphenyl,1-bromo-2-2-bromophenyl benzene,1,1'-biphenyl, 2,2'-dibromo,unii-gsl06p6p2l,biphenyl, 2,2'-dibromo,gsl06p6p2l,1,1'-biphenyl, 2,2'-dibromo-9ci,biphenyl,2'-dibromo PubChem CID: 83060 IUPAC Name: 1-bromo-2-(2-bromophenyl)benzene SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2Br)Br
| PubChem CID | 83060 |
|---|---|
| CAS | 13029-09-9 |
| Molecular Weight (g/mol) | 312.01 |
| MDL Number | MFCD00093707 |
| SMILES | C1=CC=C(C(=C1)C2=CC=CC=C2Br)Br |
| Synonym | 2,2'-dibromobiphenyl,2,2'-dibromo-1,1'-biphenyl,o,o'-dibromobiphenyl,1-bromo-2-2-bromophenyl benzene,1,1'-biphenyl, 2,2'-dibromo,unii-gsl06p6p2l,biphenyl, 2,2'-dibromo,gsl06p6p2l,1,1'-biphenyl, 2,2'-dibromo-9ci,biphenyl,2'-dibromo |
| IUPAC Name | 1-bromo-2-(2-bromophenyl)benzene |
| InChI Key | DRKHIWKXLZCAKP-UHFFFAOYSA-N |
| Molecular Formula | C12H8Br2 |
5-Bromo-2-isopropoxybenzonitrile, 97%, Thermo Scientific Chemicals
CAS: 515832-52-7 Molecular Formula: C10H10BrNO Molecular Weight (g/mol): 240.1 MDL Number: MFCD02257441 InChI Key: YRPPYKWHWKFYGJ-UHFFFAOYSA-N Synonym: 5-bromo-2-isopropoxybenzonitrile,5-bromo-2-isopropoxy-benzonitrile,benzonitrile, 5-bromo-2-1-methylethoxy,5-bromo-2-propan-2-yloxy benzonitrile,5-bromo-2-methylethoxy benzenecarbonitrile,acmc-1awgy,5-bromo-2 1-methylethyl oxy benzonitrile,5-bromo-2-1-methylethyl oxy benzonitrile PubChem CID: 3262494 IUPAC Name: 5-bromo-2-propan-2-yloxybenzonitrile SMILES: CC(C)OC1=C(C=C(C=C1)Br)C#N
| PubChem CID | 3262494 |
|---|---|
| CAS | 515832-52-7 |
| Molecular Weight (g/mol) | 240.1 |
| MDL Number | MFCD02257441 |
| SMILES | CC(C)OC1=C(C=C(C=C1)Br)C#N |
| Synonym | 5-bromo-2-isopropoxybenzonitrile,5-bromo-2-isopropoxy-benzonitrile,benzonitrile, 5-bromo-2-1-methylethoxy,5-bromo-2-propan-2-yloxy benzonitrile,5-bromo-2-methylethoxy benzenecarbonitrile,acmc-1awgy,5-bromo-2 1-methylethyl oxy benzonitrile,5-bromo-2-1-methylethyl oxy benzonitrile |
| IUPAC Name | 5-bromo-2-propan-2-yloxybenzonitrile |
| InChI Key | YRPPYKWHWKFYGJ-UHFFFAOYSA-N |
| Molecular Formula | C10H10BrNO |