Benzene and substituted derivatives
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4-Sulfo-2,3,5,6-tetrafluorobenzoic Acid 95.0+%, TCI America™
CAS: 125662-60-4 Molecular Formula: C7H2F4O5S Molecular Weight (g/mol): 274.142 InChI Key: JNESNWCWZVATQY-UHFFFAOYSA-N PubChem CID: 19807654 IUPAC Name: 2,3,5,6-tetrafluoro-4-sulfobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O
| PubChem CID | 19807654 |
|---|---|
| CAS | 125662-60-4 |
| Molecular Weight (g/mol) | 274.142 |
| SMILES | C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)O |
| IUPAC Name | 2,3,5,6-tetrafluoro-4-sulfobenzoic acid |
| InChI Key | JNESNWCWZVATQY-UHFFFAOYSA-N |
| Molecular Formula | C7H2F4O5S |
4-Chloro-4'-hydroxybenzophenone 98.0+%, TCI America™
CAS: 42019-78-3 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.66 MDL Number: MFCD00002357 InChI Key: RUETVLNXAGWCDS-UHFFFAOYSA-N Synonym: 4-chloro-4'-hydroxybenzophenone,4-chlorophenyl 4-hydroxyphenyl methanone,4-hydroxy-4'-chlorobenzophenone,4-p-chlorobenzoylphenol,4-4-chlorobenzoyl phenol,4-chlorophenyl 4-hydroxyphenyl-methanone,methanone, 4-chlorophenyl 4-hydroxyphenyl,4-chlorophenyl-4-hydroxyphenyl methanone,4-chlorophenyl 4-hydroxyphenyl ketone,pubchem3317 PubChem CID: 123504 IUPAC Name: 4-(4-chlorobenzoyl)phenol SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 123504 |
|---|---|
| CAS | 42019-78-3 |
| Molecular Weight (g/mol) | 232.66 |
| MDL Number | MFCD00002357 |
| SMILES | OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4-chloro-4'-hydroxybenzophenone,4-chlorophenyl 4-hydroxyphenyl methanone,4-hydroxy-4'-chlorobenzophenone,4-p-chlorobenzoylphenol,4-4-chlorobenzoyl phenol,4-chlorophenyl 4-hydroxyphenyl-methanone,methanone, 4-chlorophenyl 4-hydroxyphenyl,4-chlorophenyl-4-hydroxyphenyl methanone,4-chlorophenyl 4-hydroxyphenyl ketone,pubchem3317 |
| IUPAC Name | 4-(4-chlorobenzoyl)phenol |
| InChI Key | RUETVLNXAGWCDS-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO2 |
4'-Chlorobenzophenone-2-carboxylic Acid 98.0+%, TCI America™
CAS: 85-56-3 Molecular Formula: C14H9ClO3 Molecular Weight (g/mol): 260.673 MDL Number: MFCD00002474 InChI Key: YWECCEXWKFHHQJ-UHFFFAOYSA-N Synonym: 2-4-chlorobenzoyl benzoic acid,benzoic acid, 2-4-chlorobenzoyl,o-p-chlorobenzoyl benzoic acid,2-p-chlorobenzoyl benzoic acid,o-4-chlorobenzoyl benzoic acid,2-4'-chlorobenzoyl benzoic acid,unii-3u7w4yoy3r,3u7w4yoy3r,chembl81936,2-4-chloro-benzoyl-benzoic acid PubChem CID: 66564 IUPAC Name: 2-(4-chlorobenzoyl)benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O
| PubChem CID | 66564 |
|---|---|
| CAS | 85-56-3 |
| Molecular Weight (g/mol) | 260.673 |
| MDL Number | MFCD00002474 |
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O |
| Synonym | 2-4-chlorobenzoyl benzoic acid,benzoic acid, 2-4-chlorobenzoyl,o-p-chlorobenzoyl benzoic acid,2-p-chlorobenzoyl benzoic acid,o-4-chlorobenzoyl benzoic acid,2-4'-chlorobenzoyl benzoic acid,unii-3u7w4yoy3r,3u7w4yoy3r,chembl81936,2-4-chloro-benzoyl-benzoic acid |
| IUPAC Name | 2-(4-chlorobenzoyl)benzoic acid |
| InChI Key | YWECCEXWKFHHQJ-UHFFFAOYSA-N |
| Molecular Formula | C14H9ClO3 |
Benzophenone-2,4'-dicarboxylic Acid Monohydrate 98.0+%, TCI America™
CAS: 85-58-5 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD04038016 InChI Key: RWHRIIMYBNGFEV-UHFFFAOYSA-N Synonym: 2,4′C-Carbonyldibenzoic Acid PubChem CID: 221116 IUPAC Name: 2-(4-carboxybenzoyl)benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O
| PubChem CID | 221116 |
|---|---|
| CAS | 85-58-5 |
| Molecular Weight (g/mol) | 270.24 |
| MDL Number | MFCD04038016 |
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O |
| Synonym | 2,4′C-Carbonyldibenzoic Acid |
| IUPAC Name | 2-(4-carboxybenzoyl)benzoic acid |
| InChI Key | RWHRIIMYBNGFEV-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
N,N-Diethyl-m-toluamide 98.0+%, TCI America™
CAS: 134-62-3 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 MDL Number: MFCD00009046 InChI Key: MMOXZBCLCQITDF-UHFFFAOYSA-N Synonym: deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan PubChem CID: 4284 ChEBI: CHEBI:7071 IUPAC Name: N,N-diethyl-3-methylbenzamide SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)C
| PubChem CID | 4284 |
|---|---|
| CAS | 134-62-3 |
| Molecular Weight (g/mol) | 191.274 |
| ChEBI | CHEBI:7071 |
| MDL Number | MFCD00009046 |
| SMILES | CCN(CC)C(=O)C1=CC(=CC=C1)C |
| Synonym | deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan |
| IUPAC Name | N,N-diethyl-3-methylbenzamide |
| InChI Key | MMOXZBCLCQITDF-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
2-(Methylthio)benzoic Acid 98.0+%, TCI America™
CAS: 3724-10-5 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00029934 InChI Key: LWJQGKJCZOGGPJ-UHFFFAOYSA-N Synonym: 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french PubChem CID: 19498 IUPAC Name: 2-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC=C1C(=O)O
| PubChem CID | 19498 |
|---|---|
| CAS | 3724-10-5 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00029934 |
| SMILES | CSC1=CC=CC=C1C(=O)O |
| Synonym | 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french |
| IUPAC Name | 2-methylsulfanylbenzoic acid |
| InChI Key | LWJQGKJCZOGGPJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
3,4-Difluoroanisole 97.0+%, TCI America™
CAS: 115144-40-6 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.121 MDL Number: MFCD00010730 InChI Key: DSEVNUCNUTYYHW-UHFFFAOYSA-N Synonym: 3,4-difluoroanisole,1,2-difluoro-4-methoxy-benzene,benzene, 1,2-difluoro-4-methoxy,3,4-difluoro-1-methoxybenzene,1,2-difluor-4-methoxybenzol,pubchem3457,3,4-difluoro-anisole,difluorobenzene,1-methoxy,acmc-2099pe PubChem CID: 568250 IUPAC Name: 1,2-difluoro-4-methoxybenzene SMILES: COC1=CC(=C(C=C1)F)F
| PubChem CID | 568250 |
|---|---|
| CAS | 115144-40-6 |
| Molecular Weight (g/mol) | 144.121 |
| MDL Number | MFCD00010730 |
| SMILES | COC1=CC(=C(C=C1)F)F |
| Synonym | 3,4-difluoroanisole,1,2-difluoro-4-methoxy-benzene,benzene, 1,2-difluoro-4-methoxy,3,4-difluoro-1-methoxybenzene,1,2-difluor-4-methoxybenzol,pubchem3457,3,4-difluoro-anisole,difluorobenzene,1-methoxy,acmc-2099pe |
| IUPAC Name | 1,2-difluoro-4-methoxybenzene |
| InChI Key | DSEVNUCNUTYYHW-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2O |
2-Chloro-6-methoxytoluene 96.0+%, TCI America™
CAS: 3260-88-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00070772 InChI Key: LTVRGAWOEOKGJZ-UHFFFAOYSA-N Synonym: 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa PubChem CID: 76749 IUPAC Name: 1-chloro-3-methoxy-2-methylbenzene SMILES: COC1=CC=CC(Cl)=C1C
| PubChem CID | 76749 |
|---|---|
| CAS | 3260-88-6 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD00070772 |
| SMILES | COC1=CC=CC(Cl)=C1C |
| Synonym | 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa |
| IUPAC Name | 1-chloro-3-methoxy-2-methylbenzene |
| InChI Key | LTVRGAWOEOKGJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
5-Bromo-1,2,3-trimethoxybenzene 98.0+%, TCI America™
CAS: 2675-79-8 Molecular Formula: C9H11BrO3 Molecular Weight (g/mol): 247.09 MDL Number: MFCD00017169 InChI Key: XAOOZMATJDXDQJ-UHFFFAOYSA-N Synonym: 1-bromo-3,4,5-trimethoxybenzene,3,4,5-trimethoxybromobenzene,bromotrimethoxybenzene,benzene, 5-bromo-1,2,3-trimethoxy,5-bromo-1,2,3-trimethoxy-benzene,pubchem10980,3,4,5-trimethoxybromoben,ksc490o1d,3,4,5-trimethoxyphenylbromide,3,4,5-triemethoxyphenylbromide PubChem CID: 75885 IUPAC Name: 5-bromo-1,2,3-trimethoxybenzene SMILES: COC1=CC(Br)=CC(OC)=C1OC
| PubChem CID | 75885 |
|---|---|
| CAS | 2675-79-8 |
| Molecular Weight (g/mol) | 247.09 |
| MDL Number | MFCD00017169 |
| SMILES | COC1=CC(Br)=CC(OC)=C1OC |
| Synonym | 1-bromo-3,4,5-trimethoxybenzene,3,4,5-trimethoxybromobenzene,bromotrimethoxybenzene,benzene, 5-bromo-1,2,3-trimethoxy,5-bromo-1,2,3-trimethoxy-benzene,pubchem10980,3,4,5-trimethoxybromoben,ksc490o1d,3,4,5-trimethoxyphenylbromide,3,4,5-triemethoxyphenylbromide |
| IUPAC Name | 5-bromo-1,2,3-trimethoxybenzene |
| InChI Key | XAOOZMATJDXDQJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO3 |
2,3-Difluoro-4-[(trans-4-propylcyclohexyl)methoxy]anisole 98.0+%, TCI America™
CAS: 1373116-00-7 Molecular Formula: C17H24F2O2 Molecular Weight (g/mol): 298.37 MDL Number: MFCD28976165 InChI Key: VPEMEZFAMQJFFP-UHFFFAOYSA-N Synonym: 2,3-Difluoro-1-methoxy-4-[(trans-4-propylcyclohexyl)methoxy]benzene PubChem CID: 57583104 IUPAC Name: 2,3-difluoro-1-methoxy-4-[(4-propylcyclohexyl)methoxy]benzene SMILES: CCCC1CCC(COC2=C(F)C(F)=C(OC)C=C2)CC1
| PubChem CID | 57583104 |
|---|---|
| CAS | 1373116-00-7 |
| Molecular Weight (g/mol) | 298.37 |
| MDL Number | MFCD28976165 |
| SMILES | CCCC1CCC(COC2=C(F)C(F)=C(OC)C=C2)CC1 |
| Synonym | 2,3-Difluoro-1-methoxy-4-[(trans-4-propylcyclohexyl)methoxy]benzene |
| IUPAC Name | 2,3-difluoro-1-methoxy-4-[(4-propylcyclohexyl)methoxy]benzene |
| InChI Key | VPEMEZFAMQJFFP-UHFFFAOYSA-N |
| Molecular Formula | C17H24F2O2 |
2,6-Dibromoanisole 98.0+%, TCI America™
CAS: 38603-09-7 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.93 MDL Number: MFCD00093270 InChI Key: BMZVDHQOAJUZJL-UHFFFAOYSA-N Synonym: 1,3-Dibromo-2-methoxybenzene PubChem CID: 181584 IUPAC Name: 1,3-dibromo-2-methoxybenzene SMILES: COC1=C(Br)C=CC=C1Br
| PubChem CID | 181584 |
|---|---|
| CAS | 38603-09-7 |
| Molecular Weight (g/mol) | 265.93 |
| MDL Number | MFCD00093270 |
| SMILES | COC1=C(Br)C=CC=C1Br |
| Synonym | 1,3-Dibromo-2-methoxybenzene |
| IUPAC Name | 1,3-dibromo-2-methoxybenzene |
| InChI Key | BMZVDHQOAJUZJL-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2O |
4-Bromo-2,5-difluoroanisole 98.0+%, TCI America™
CAS: 202865-60-9 Molecular Formula: C7H5BrF2O Molecular Weight (g/mol): 223.017 MDL Number: MFCD00143258 InChI Key: OOTXNQBDWFJMNN-UHFFFAOYSA-N Synonym: 4-bromo-2,5-difluoroanisole,1-bromo-2,5-difluoro-4-methoxy-benzene,timtec-bb sbb037912,pubchem2653,acmc-1cm1k,benzene,1-bromo-2,5-difluoro-4-methoxy,benzene, 1-bromo-2,5-difluoro-4-methoxy PubChem CID: 2724983 IUPAC Name: 1-bromo-2,5-difluoro-4-methoxybenzene SMILES: COC1=CC(=C(C=C1F)Br)F
| PubChem CID | 2724983 |
|---|---|
| CAS | 202865-60-9 |
| Molecular Weight (g/mol) | 223.017 |
| MDL Number | MFCD00143258 |
| SMILES | COC1=CC(=C(C=C1F)Br)F |
| Synonym | 4-bromo-2,5-difluoroanisole,1-bromo-2,5-difluoro-4-methoxy-benzene,timtec-bb sbb037912,pubchem2653,acmc-1cm1k,benzene,1-bromo-2,5-difluoro-4-methoxy,benzene, 1-bromo-2,5-difluoro-4-methoxy |
| IUPAC Name | 1-bromo-2,5-difluoro-4-methoxybenzene |
| InChI Key | OOTXNQBDWFJMNN-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2O |
6-Acetyl-1-bromo-2-methoxynaphthalene 98.0+%, TCI America™
CAS: 84167-74-8 Molecular Formula: C13H11BrO2 Molecular Weight (g/mol): 279.133 MDL Number: MFCD00100832 InChI Key: KDDYYAXVVDTNND-UHFFFAOYSA-N Synonym: 5′C-Bromo-6′C-methoxy-2′C-acetonaphthone PubChem CID: 622178 IUPAC Name: 1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)C(=C(C=C2)OC)Br
| PubChem CID | 622178 |
|---|---|
| CAS | 84167-74-8 |
| Molecular Weight (g/mol) | 279.133 |
| MDL Number | MFCD00100832 |
| SMILES | CC(=O)C1=CC2=C(C=C1)C(=C(C=C2)OC)Br |
| Synonym | 5′C-Bromo-6′C-methoxy-2′C-acetonaphthone |
| IUPAC Name | 1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone |
| InChI Key | KDDYYAXVVDTNND-UHFFFAOYSA-N |
| Molecular Formula | C13H11BrO2 |
4'-Acetylbenzo-15-crown 5-Ether 97.0+%, TCI America™
CAS: 41757-95-3 Molecular Formula: C16H22O6 Molecular Weight (g/mol): 310.35 MDL Number: MFCD00188564 InChI Key: XNJYHEGDUAQGEE-UHFFFAOYSA-N Synonym: 2,3-(4-Acetylbenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene PubChem CID: 3038641 IUPAC Name: 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)ethan-1-one SMILES: CC(=O)C1=CC=C2OCCOCCOCCOCCOC2=C1
| PubChem CID | 3038641 |
|---|---|
| CAS | 41757-95-3 |
| Molecular Weight (g/mol) | 310.35 |
| MDL Number | MFCD00188564 |
| SMILES | CC(=O)C1=CC=C2OCCOCCOCCOCCOC2=C1 |
| Synonym | 2,3-(4-Acetylbenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene |
| IUPAC Name | 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)ethan-1-one |
| InChI Key | XNJYHEGDUAQGEE-UHFFFAOYSA-N |
| Molecular Formula | C16H22O6 |
2'-Acetonaphthone 98.0+%, TCI America™
CAS: 93-08-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00004108 InChI Key: XSAYZAUNJMRRIR-UHFFFAOYSA-N Synonym: 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone PubChem CID: 7122 ChEBI: CHEBI:52364 IUPAC Name: 1-naphthalen-2-ylethanone SMILES: CC(=O)C1=CC2=CC=CC=C2C=C1
| PubChem CID | 7122 |
|---|---|
| CAS | 93-08-3 |
| Molecular Weight (g/mol) | 170.211 |
| ChEBI | CHEBI:52364 |
| MDL Number | MFCD00004108 |
| SMILES | CC(=O)C1=CC2=CC=CC=C2C=C1 |
| Synonym | 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone |
| IUPAC Name | 1-naphthalen-2-ylethanone |
| InChI Key | XSAYZAUNJMRRIR-UHFFFAOYSA-N |
| Molecular Formula | C12H10O |