Benzenoids
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Phenol Solution, Macron Fine Chemicals™
CAS: 108-95-2 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.11 MDL Number: MFCD00002143 InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N Synonym: carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol PubChem CID: 996 ChEBI: CHEBI:15882 IUPAC Name: phenol SMILES: OC1=CC=CC=C1
| PubChem CID | 996 |
|---|---|
| CAS | 108-95-2 |
| Molecular Weight (g/mol) | 94.11 |
| ChEBI | CHEBI:15882 |
| MDL Number | MFCD00002143 |
| SMILES | OC1=CC=CC=C1 |
| Synonym | carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol |
| IUPAC Name | phenol |
| InChI Key | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
| Molecular Formula | C6H6O |
2-Hydroxy-1-naphthaldehyde, 98%
CAS: 708-06-5 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 MDL Number: MFCD00004005 InChI Key: NTCCNERMXRIPTR-UHFFFAOYSA-N Synonym: 2-hydroxy-1-naphthaldehyde,1-formyl-2-naphthol,2-hydroxy-1-naphthylaldehyde,2-hydroxy-1-napthaldehyde,2-hydroxynaphthaldehyde,2-naphthol 1-carboxaldehyde,2-hydroxy-1-naphthalaldehyde,1-naphthalenecarboxaldehyde, 2-hydroxy,2-hydroxy-1-naphthalenecarboxaldehyde,1-hydroxy-2-naphthalenecarboxaldehyde PubChem CID: 12819 IUPAC Name: 2-hydroxynaphthalene-1-carbaldehyde SMILES: C1=CC=C2C(=C1)C=CC(=C2C=O)O
| PubChem CID | 12819 |
|---|---|
| CAS | 708-06-5 |
| Molecular Weight (g/mol) | 172.183 |
| MDL Number | MFCD00004005 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2C=O)O |
| Synonym | 2-hydroxy-1-naphthaldehyde,1-formyl-2-naphthol,2-hydroxy-1-naphthylaldehyde,2-hydroxy-1-napthaldehyde,2-hydroxynaphthaldehyde,2-naphthol 1-carboxaldehyde,2-hydroxy-1-naphthalaldehyde,1-naphthalenecarboxaldehyde, 2-hydroxy,2-hydroxy-1-naphthalenecarboxaldehyde,1-hydroxy-2-naphthalenecarboxaldehyde |
| IUPAC Name | 2-hydroxynaphthalene-1-carbaldehyde |
| InChI Key | NTCCNERMXRIPTR-UHFFFAOYSA-N |
| Molecular Formula | C11H8O2 |
2-Chloroethyl phenyl sulfide, 98%
CAS: 5535-49-9 Molecular Formula: C8H9ClS Molecular Weight (g/mol): 172.67 MDL Number: MFCD00013691 InChI Key: QDXIHHOPZFCEAP-UHFFFAOYSA-N Synonym: 2-chloroethyl phenyl sulfide,2-chloroethyl phenyl sulfane,2-chloroethyl sulfanyl benzene,2-chloroethyl thio benzene,2-chloroethylphenylsulfide,benzene, 2-chloroethyl thio,2-phenylthio ethyl chloride,2-phenylthioethylchloride,acmc-1axe6 PubChem CID: 21702 IUPAC Name: 2-chloroethylsulfanylbenzene SMILES: ClCCSC1=CC=CC=C1
| PubChem CID | 21702 |
|---|---|
| CAS | 5535-49-9 |
| Molecular Weight (g/mol) | 172.67 |
| MDL Number | MFCD00013691 |
| SMILES | ClCCSC1=CC=CC=C1 |
| Synonym | 2-chloroethyl phenyl sulfide,2-chloroethyl phenyl sulfane,2-chloroethyl sulfanyl benzene,2-chloroethyl thio benzene,2-chloroethylphenylsulfide,benzene, 2-chloroethyl thio,2-phenylthio ethyl chloride,2-phenylthioethylchloride,acmc-1axe6 |
| IUPAC Name | 2-chloroethylsulfanylbenzene |
| InChI Key | QDXIHHOPZFCEAP-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClS |
4-Ethylphenol, 97%
CAS: 123-07-9 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00002393 InChI Key: HXDOZKJGKXYMEW-UHFFFAOYSA-N Synonym: p-ethylphenol,phenol, 4-ethyl,1-ethyl-4-hydroxybenzene,phenol, p-ethyl,1-hydroxy-4-ethylbenzene,para-ethylphenol,4-hydroxyphenylethane,4-ethyl-phenol,4-hydroxyethylbenzene,paraethylphenol PubChem CID: 31242 ChEBI: CHEBI:49584 IUPAC Name: 4-ethylphenol SMILES: CCC1=CC=C(C=C1)O
| PubChem CID | 31242 |
|---|---|
| CAS | 123-07-9 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:49584 |
| MDL Number | MFCD00002393 |
| SMILES | CCC1=CC=C(C=C1)O |
| Synonym | p-ethylphenol,phenol, 4-ethyl,1-ethyl-4-hydroxybenzene,phenol, p-ethyl,1-hydroxy-4-ethylbenzene,para-ethylphenol,4-hydroxyphenylethane,4-ethyl-phenol,4-hydroxyethylbenzene,paraethylphenol |
| IUPAC Name | 4-ethylphenol |
| InChI Key | HXDOZKJGKXYMEW-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
Benzyl n-butyl phthalate, 98%
CAS: 85-68-7 Molecular Formula: C19H20O4 Molecular Weight (g/mol): 312.365 MDL Number: MFCD00009440 InChI Key: IRIAEXORFWYRCZ-UHFFFAOYSA-N Synonym: benzyl butyl phthalate,butyl benzyl phthalate,sicol,palatinol bb,unimoll bb,santicizer 160,butylbenzyl phthalate,n-butyl benzyl phthalate,sicol 160,benzyl n-butyl phthalate PubChem CID: 2347 ChEBI: CHEBI:34595 IUPAC Name: 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2
| PubChem CID | 2347 |
|---|---|
| CAS | 85-68-7 |
| Molecular Weight (g/mol) | 312.365 |
| ChEBI | CHEBI:34595 |
| MDL Number | MFCD00009440 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 |
| Synonym | benzyl butyl phthalate,butyl benzyl phthalate,sicol,palatinol bb,unimoll bb,santicizer 160,butylbenzyl phthalate,n-butyl benzyl phthalate,sicol 160,benzyl n-butyl phthalate |
| IUPAC Name | 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate |
| InChI Key | IRIAEXORFWYRCZ-UHFFFAOYSA-N |
| Molecular Formula | C19H20O4 |
4-Bromo-3-fluorobenzoic acid, 98+%, Thermo Scientific Chemicals
CAS: 153556-42-4 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00672932 InChI Key: RMYOGXPGIDWJLU-UHFFFAOYSA-N Synonym: 3-fluoro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-fluoro,3-fluoro-4-bromo benzoic acid,4-bromo-3-fluoro-benzoic acid,pubchem1316,intermediates-zcf02169,acmc-1c1h6,ksc497g7p,4-bromo-3-fluoro benzoic acid PubChem CID: 2773341 IUPAC Name: 4-bromo-3-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)Br
| PubChem CID | 2773341 |
|---|---|
| CAS | 153556-42-4 |
| Molecular Weight (g/mol) | 219.009 |
| MDL Number | MFCD00672932 |
| SMILES | C1=CC(=C(C=C1C(=O)O)F)Br |
| Synonym | 3-fluoro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-fluoro,3-fluoro-4-bromo benzoic acid,4-bromo-3-fluoro-benzoic acid,pubchem1316,intermediates-zcf02169,acmc-1c1h6,ksc497g7p,4-bromo-3-fluoro benzoic acid |
| IUPAC Name | 4-bromo-3-fluorobenzoic acid |
| InChI Key | RMYOGXPGIDWJLU-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO2 |
4-n-Octylphenol, 99%
CAS: 1806-26-4 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00036134 InChI Key: NTDQQZYCCIDJRK-UHFFFAOYSA-N Synonym: 4-n-octylphenol,phenol, 4-octyl,p-octylphenol,phenol, p-octyl,1-p-hydroxyphenyl octane,para-octylphenol,unii-7df2b8lh3p,4-octyl-phenol,7df2b8lh3p,phenol, octenylated PubChem CID: 15730 ChEBI: CHEBI:34432 IUPAC Name: 4-octylphenol SMILES: CCCCCCCCC1=CC=C(O)C=C1
| PubChem CID | 15730 |
|---|---|
| CAS | 1806-26-4 |
| Molecular Weight (g/mol) | 206.33 |
| ChEBI | CHEBI:34432 |
| MDL Number | MFCD00036134 |
| SMILES | CCCCCCCCC1=CC=C(O)C=C1 |
| Synonym | 4-n-octylphenol,phenol, 4-octyl,p-octylphenol,phenol, p-octyl,1-p-hydroxyphenyl octane,para-octylphenol,unii-7df2b8lh3p,4-octyl-phenol,7df2b8lh3p,phenol, octenylated |
| IUPAC Name | 4-octylphenol |
| InChI Key | NTDQQZYCCIDJRK-UHFFFAOYSA-N |
| Molecular Formula | C14H22O |
4-Bromo-3-nitrobenzoic acid, 95%
CAS: 6319-40-0 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00272137 InChI Key: RVCTZJVBWNFYRU-UHFFFAOYSA-N Synonym: 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid # PubChem CID: 232986 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br
| PubChem CID | 232986 |
|---|---|
| CAS | 6319-40-0 |
| Molecular Weight (g/mol) | 246.016 |
| MDL Number | MFCD00272137 |
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br |
| Synonym | 4-bromo-3-nitrobenzoic acid,3-nitro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-nitro,4-bromo-3-nitro-benzoic acid,zlchem 531,pubchem2194,acmc-209ndq,ksc353s1b,4-bromo-3-nitrobenzoic acid # |
| InChI Key | RVCTZJVBWNFYRU-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
2,4-Difluorobenzoyl chloride, 97%
CAS: 72482-64-5 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.55 MDL Number: MFCD00000658 InChI Key: JSWRVDNTKPAJLB-UHFFFAOYSA-N PubChem CID: 588081 IUPAC Name: 2,4-difluorobenzoyl chloride SMILES: FC1=CC=C(C(Cl)=O)C(F)=C1
| PubChem CID | 588081 |
|---|---|
| CAS | 72482-64-5 |
| Molecular Weight (g/mol) | 176.55 |
| MDL Number | MFCD00000658 |
| SMILES | FC1=CC=C(C(Cl)=O)C(F)=C1 |
| IUPAC Name | 2,4-difluorobenzoyl chloride |
| InChI Key | JSWRVDNTKPAJLB-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF2O |
3,4,5-Trimethoxybenzyl alcohol, 98%
CAS: 3840-31-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00004639 InChI Key: QPHLRCUCFDXGLY-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzyl alcohol,3,4,5-trimethoxyphenyl methanol,benzenemethanol, 3,4,5-trimethoxy,3,4,5-trimethoxybenzylalcohol,3,4,5-trimethoxybenzylic alcohol,benzyl alcohol, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methan-1-ol,acmc-1cp7y,3,4,5-trimethoxybenzalcohol,ksc494s0n PubChem CID: 77449 IUPAC Name: (3,4,5-trimethoxyphenyl)methanol SMILES: COC1=CC(=CC(=C1OC)OC)CO
| PubChem CID | 77449 |
|---|---|
| CAS | 3840-31-1 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00004639 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CO |
| Synonym | 3,4,5-trimethoxybenzyl alcohol,3,4,5-trimethoxyphenyl methanol,benzenemethanol, 3,4,5-trimethoxy,3,4,5-trimethoxybenzylalcohol,3,4,5-trimethoxybenzylic alcohol,benzyl alcohol, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methan-1-ol,acmc-1cp7y,3,4,5-trimethoxybenzalcohol,ksc494s0n |
| IUPAC Name | (3,4,5-trimethoxyphenyl)methanol |
| InChI Key | QPHLRCUCFDXGLY-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
4-Fluoro-3-(hydroxymethyl)benzeneboronic acid, 98%
CAS: 481681-02-1 Molecular Formula: C7H8BFO3 Molecular Weight (g/mol): 169.95 MDL Number: MFCD08235075 InChI Key: PWMOQHMTXJYUGE-UHFFFAOYSA-N Synonym: 4-fluoro-3-hydroxymethyl phenyl boronic acid,4-fluoro-3-hydroxymethyl phenylboronic acid,4-fluoro-3-hydroxymethyl benzeneboronic acid,4-fluoro-3-hydroxymethylphenylboronic acid,boronic acid, 4-fluoro-3-hydroxymethyl phenyl,boronic acid,b-4-fluoro-3-hydroxymethyl phenyl,pubchem23767,acmc-209kcj,ksc496e1t PubChem CID: 21865588 IUPAC Name: [4-fluoro-3-(hydroxymethyl)phenyl]boronic acid SMILES: OCC1=C(F)C=CC(=C1)B(O)O
| PubChem CID | 21865588 |
|---|---|
| CAS | 481681-02-1 |
| Molecular Weight (g/mol) | 169.95 |
| MDL Number | MFCD08235075 |
| SMILES | OCC1=C(F)C=CC(=C1)B(O)O |
| Synonym | 4-fluoro-3-hydroxymethyl phenyl boronic acid,4-fluoro-3-hydroxymethyl phenylboronic acid,4-fluoro-3-hydroxymethyl benzeneboronic acid,4-fluoro-3-hydroxymethylphenylboronic acid,boronic acid, 4-fluoro-3-hydroxymethyl phenyl,boronic acid,b-4-fluoro-3-hydroxymethyl phenyl,pubchem23767,acmc-209kcj,ksc496e1t |
| IUPAC Name | [4-fluoro-3-(hydroxymethyl)phenyl]boronic acid |
| InChI Key | PWMOQHMTXJYUGE-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO3 |
{2-[3-(Dimethylamino)propoxy]phenyl}methanol, 97%, Thermo Scientific™
CAS: 14573-97-8 Molecular Formula: C12H19NO2 Molecular Weight (g/mol): 209.29 MDL Number: MFCD09064995 InChI Key: KEQGOXOOPXJVFM-UHFFFAOYSA-N Synonym: 2-3-dimethylamino propoxy phenyl methanol,2-3-dimethylamino propoxy phenyl,benzenemethanol,2-3-dimethylamino propoxy,2-3-dimethylamino propoxy phenyl methan-1-ol PubChem CID: 23401802 IUPAC Name: [2-[3-(dimethylamino)propoxy]phenyl]methanol SMILES: CN(C)CCCOC1=CC=CC=C1CO
| PubChem CID | 23401802 |
|---|---|
| CAS | 14573-97-8 |
| Molecular Weight (g/mol) | 209.29 |
| MDL Number | MFCD09064995 |
| SMILES | CN(C)CCCOC1=CC=CC=C1CO |
| Synonym | 2-3-dimethylamino propoxy phenyl methanol,2-3-dimethylamino propoxy phenyl,benzenemethanol,2-3-dimethylamino propoxy,2-3-dimethylamino propoxy phenyl methan-1-ol |
| IUPAC Name | [2-[3-(dimethylamino)propoxy]phenyl]methanol |
| InChI Key | KEQGOXOOPXJVFM-UHFFFAOYSA-N |
| Molecular Formula | C12H19NO2 |
2-Bromobenzyl chloride, 97%
CAS: 578-51-8 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00040863 InChI Key: DDVSFIUKWUTKES-UHFFFAOYSA-N Synonym: 1-bromo-2-chloromethyl benzene,2-bromobenzyl chloride,o-bromobenzyl chloride,benzene,1-bromo-2-chloromethyl,benzene, 1-bromo-2-chloromethyl,o-brombenzylchlorid,acmc-1aunq,3-bromo-2-chloromethylbenzene,1-bromo-2-chloromethyl benzene # PubChem CID: 521816 IUPAC Name: 1-bromo-2-(chloromethyl)benzene SMILES: C1=CC=C(C(=C1)CCl)Br
| PubChem CID | 521816 |
|---|---|
| CAS | 578-51-8 |
| Molecular Weight (g/mol) | 205.479 |
| MDL Number | MFCD00040863 |
| SMILES | C1=CC=C(C(=C1)CCl)Br |
| Synonym | 1-bromo-2-chloromethyl benzene,2-bromobenzyl chloride,o-bromobenzyl chloride,benzene,1-bromo-2-chloromethyl,benzene, 1-bromo-2-chloromethyl,o-brombenzylchlorid,acmc-1aunq,3-bromo-2-chloromethylbenzene,1-bromo-2-chloromethyl benzene # |
| IUPAC Name | 1-bromo-2-(chloromethyl)benzene |
| InChI Key | DDVSFIUKWUTKES-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
2-[3-(Chloromethyl)phenyl]pyrimidine, 97%, Thermo Scientific™
CAS: 898289-51-5 Molecular Formula: C11H9ClN2 Molecular Weight (g/mol): 204.657 MDL Number: MFCD09064978 InChI Key: AUWJTKGKFPDHDU-UHFFFAOYSA-N Synonym: 2-3-chloromethyl phenyl pyrimidine,3-pyrimidin-2-ylbenzyl chloride,pyrimidine, 2-3-chloromethyl phenyl,pyrimidine, 2-3-chloromethyl phenyl-9ci PubChem CID: 24229567 IUPAC Name: 2-[3-(chloromethyl)phenyl]pyrimidine SMILES: C1=CC(=CC(=C1)CCl)C2=NC=CC=N2
| PubChem CID | 24229567 |
|---|---|
| CAS | 898289-51-5 |
| Molecular Weight (g/mol) | 204.657 |
| MDL Number | MFCD09064978 |
| SMILES | C1=CC(=CC(=C1)CCl)C2=NC=CC=N2 |
| Synonym | 2-3-chloromethyl phenyl pyrimidine,3-pyrimidin-2-ylbenzyl chloride,pyrimidine, 2-3-chloromethyl phenyl,pyrimidine, 2-3-chloromethyl phenyl-9ci |
| IUPAC Name | 2-[3-(chloromethyl)phenyl]pyrimidine |
| InChI Key | AUWJTKGKFPDHDU-UHFFFAOYSA-N |
| Molecular Formula | C11H9ClN2 |
3,5-Difluoro-4-methoxybenzyl bromide, 97%
CAS: 706786-42-7 Molecular Formula: C8H7BrF2O Molecular Weight (g/mol): 237.04 MDL Number: MFCD04115916 InChI Key: IQTBMXJVMUSGSL-UHFFFAOYSA-N Synonym: 3,5-difluoro-4-methoxybenzyl bromide,5-bromomethyl-1,3-difluoro-2-methoxybenzene,4-bromomethyl-2,6-difluoroanisole,benzene, 5-bromomethyl-1,3-difluoro-2-methoxy PubChem CID: 17750664 IUPAC Name: 5-(bromomethyl)-1,3-difluoro-2-methoxybenzene SMILES: COC1=C(F)C=C(CBr)C=C1F
| PubChem CID | 17750664 |
|---|---|
| CAS | 706786-42-7 |
| Molecular Weight (g/mol) | 237.04 |
| MDL Number | MFCD04115916 |
| SMILES | COC1=C(F)C=C(CBr)C=C1F |
| Synonym | 3,5-difluoro-4-methoxybenzyl bromide,5-bromomethyl-1,3-difluoro-2-methoxybenzene,4-bromomethyl-2,6-difluoroanisole,benzene, 5-bromomethyl-1,3-difluoro-2-methoxy |
| IUPAC Name | 5-(bromomethyl)-1,3-difluoro-2-methoxybenzene |
| InChI Key | IQTBMXJVMUSGSL-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrF2O |