Benzene and substituted derivatives
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3-Methoxybenzaldehyde, 98%
CAS: 591-31-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003361 InChI Key: WMPDAIZRQDCGFH-UHFFFAOYSA-N Synonym: m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh PubChem CID: 11569 IUPAC Name: 3-methoxybenzaldehyde SMILES: COC1=CC=CC(=C1)C=O
| PubChem CID | 11569 |
|---|---|
| CAS | 591-31-1 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00003361 |
| SMILES | COC1=CC=CC(=C1)C=O |
| Synonym | m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh |
| IUPAC Name | 3-methoxybenzaldehyde |
| InChI Key | WMPDAIZRQDCGFH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Methyl salicylate, 98%
CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002214 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N Synonym: methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester PubChem CID: 4133 ChEBI: CHEBI:31832 IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O
| PubChem CID | 4133 |
|---|---|
| CAS | 119-36-8 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:31832 |
| MDL Number | MFCD00002214 |
| SMILES | COC(=O)C1=CC=CC=C1O |
| Synonym | methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester |
| IUPAC Name | methyl 2-hydroxybenzoate |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Nitrobenzyl chloride, 99%
CAS: 100-14-1 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007374 InChI Key: KGCNHWXDPDPSBV-UHFFFAOYSA-N Synonym: 4-nitrobenzyl chloride,1-chloromethyl-4-nitrobenzene,p-nitrobenzyl chloride,alpha-chloro-4-nitrotoluene,4-nitrobenzylchloride,benzene, 1-chloromethyl-4-nitro,alpha-chloro-p-nitrotoluene,p-chloromethyl nitrobenzene,4-chloromethyl nitrobenzene,unii-3bld9lvt3x PubChem CID: 7482 ChEBI: CHEBI:87406 IUPAC Name: 1-(chloromethyl)-4-nitrobenzene SMILES: C1=CC(=CC=C1CCl)[N+](=O)[O-]
| PubChem CID | 7482 |
|---|---|
| CAS | 100-14-1 |
| Molecular Weight (g/mol) | 171.58 |
| ChEBI | CHEBI:87406 |
| MDL Number | MFCD00007374 |
| SMILES | C1=CC(=CC=C1CCl)[N+](=O)[O-] |
| Synonym | 4-nitrobenzyl chloride,1-chloromethyl-4-nitrobenzene,p-nitrobenzyl chloride,alpha-chloro-4-nitrotoluene,4-nitrobenzylchloride,benzene, 1-chloromethyl-4-nitro,alpha-chloro-p-nitrotoluene,p-chloromethyl nitrobenzene,4-chloromethyl nitrobenzene,unii-3bld9lvt3x |
| IUPAC Name | 1-(chloromethyl)-4-nitrobenzene |
| InChI Key | KGCNHWXDPDPSBV-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
Bis(2-ethylhexyl) terephthalate, 97%
CAS: 6422-86-2 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.55 MDL Number: MFCD00072256 InChI Key: RWPICVVBGZBXNA-UHFFFAOYSA-N Synonym: bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester PubChem CID: 22932 IUPAC Name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
| PubChem CID | 22932 |
|---|---|
| CAS | 6422-86-2 |
| Molecular Weight (g/mol) | 390.55 |
| MDL Number | MFCD00072256 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC |
| Synonym | bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester |
| IUPAC Name | bis(2-ethylhexyl) benzene-1,4-dicarboxylate |
| InChI Key | RWPICVVBGZBXNA-UHFFFAOYSA-N |
| Molecular Formula | C24H38O4 |
Benzylideneacetone, 98+%
CAS: 122-57-6 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00008779 InChI Key: BWHOZHOGCMHOBV-BQYQJAHWSA-N Synonym: benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton PubChem CID: 637759 ChEBI: CHEBI:78399 SMILES: CC(=O)\C=C\C1=CC=CC=C1
| PubChem CID | 637759 |
|---|---|
| CAS | 122-57-6 |
| Molecular Weight (g/mol) | 146.19 |
| ChEBI | CHEBI:78399 |
| MDL Number | MFCD00008779 |
| SMILES | CC(=O)\C=C\C1=CC=CC=C1 |
| Synonym | benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton |
| InChI Key | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| Molecular Formula | C10H10O |
N,N-Dimethyl-m-toluidine, 97+%
CAS: 121-72-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008305 InChI Key: CWOMTHDOJCARBY-UHFFFAOYSA-N Synonym: n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl PubChem CID: 8488 IUPAC Name: N,N,3-trimethylaniline SMILES: CN(C)C1=CC=CC(C)=C1
| PubChem CID | 8488 |
|---|---|
| CAS | 121-72-2 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008305 |
| SMILES | CN(C)C1=CC=CC(C)=C1 |
| Synonym | n,n-dimethyl-m-toluidine,benzenamine, n,n,3-trimethyl,dimethyl-m-toluidine,m-methyl-n,n-dimethylaniline,n,n-dimethyl-m-methylaniline,m,n,n-trimethylaniline,n,n-dimethyl-3-methylaniline,dimetil-m-toluidina,n,n,3-trimethylbenzenamine,benzene, 1-dimethylamino-3-methyl |
| IUPAC Name | N,N,3-trimethylaniline |
| InChI Key | CWOMTHDOJCARBY-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
Ethyltriphenylphosphonium iodide, 98+%
CAS: 4736-60-1 Molecular Formula: C20H20IP Molecular Weight (g/mol): 418.26 MDL Number: MFCD00040352 InChI Key: SLAFUPJSGFVWPP-UHFFFAOYSA-M Synonym: ethyltriphenylphosphonium iodide,phosphonium, ethyltriphenyl-, iodide,ethyl triphenylphosphonium iodide,phenylphosphonium ethyl iodide,unii-xxz2v239jn,xxz2v239jn,ethyltriphenylphosphanium iodide,phosphonium, ethyltriphenyl-, iodide 1:1,ethyl triphenyl phosphanium iodide,ethyl triphenyl phosphonium iodide PubChem CID: 78474 IUPAC Name: ethyl(triphenyl)phosphanium;iodide SMILES: [I-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 78474 |
|---|---|
| CAS | 4736-60-1 |
| Molecular Weight (g/mol) | 418.26 |
| MDL Number | MFCD00040352 |
| SMILES | [I-].CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ethyltriphenylphosphonium iodide,phosphonium, ethyltriphenyl-, iodide,ethyl triphenylphosphonium iodide,phenylphosphonium ethyl iodide,unii-xxz2v239jn,xxz2v239jn,ethyltriphenylphosphanium iodide,phosphonium, ethyltriphenyl-, iodide 1:1,ethyl triphenyl phosphanium iodide,ethyl triphenyl phosphonium iodide |
| IUPAC Name | ethyl(triphenyl)phosphanium;iodide |
| InChI Key | SLAFUPJSGFVWPP-UHFFFAOYSA-M |
| Molecular Formula | C20H20IP |
Bis(2-ethylhexyl) Phthalate 98.0+%, TCI America™
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CAS: 117-81-7 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00009493 InChI Key: BJQHLKABXJIVAM-UHFFFAOYSA-N Synonym: dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil PubChem CID: 8343 ChEBI: CHEBI:17747 IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
| PubChem CID | 8343 |
|---|---|
| CAS | 117-81-7 |
| Molecular Weight (g/mol) | 390.564 |
| ChEBI | CHEBI:17747 |
| MDL Number | MFCD00009493 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC |
| Synonym | dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil |
| IUPAC Name | bis(2-ethylhexyl) benzene-1,2-dicarboxylate |
| InChI Key | BJQHLKABXJIVAM-UHFFFAOYSA-N |
| Molecular Formula | C24H38O4 |
1,4-Dimethoxybenzene, 98%
CAS: 150-78-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008401 InChI Key: OHBQPCCCRFSCAX-UHFFFAOYSA-N Synonym: p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9 PubChem CID: 9016 IUPAC Name: 1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C=C1
| PubChem CID | 9016 |
|---|---|
| CAS | 150-78-7 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00008401 |
| SMILES | COC1=CC=C(OC)C=C1 |
| Synonym | p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9 |
| IUPAC Name | 1,4-dimethoxybenzene |
| InChI Key | OHBQPCCCRFSCAX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
4-Methoxysalicylic acid, 99%
CAS: 2237-36-7 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002450 InChI Key: MRIXVKKOHPQOFK-UHFFFAOYSA-N Synonym: 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b PubChem CID: 75231 IUPAC Name: 2-hydroxy-4-methoxybenzoic acid SMILES: COC1=CC=C(C(O)=O)C(O)=C1
| PubChem CID | 75231 |
|---|---|
| CAS | 2237-36-7 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00002450 |
| SMILES | COC1=CC=C(C(O)=O)C(O)=C1 |
| Synonym | 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b |
| IUPAC Name | 2-hydroxy-4-methoxybenzoic acid |
| InChI Key | MRIXVKKOHPQOFK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
(+/-)-Atenolol
CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.341 MDL Number: MFCD00057645 InChI Key: METKIMKYRPQLGS-UHFFFAOYSA-N Synonym: atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm PubChem CID: 2249 ChEBI: CHEBI:2904 IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
| PubChem CID | 2249 |
|---|---|
| CAS | 29122-68-7 |
| Molecular Weight (g/mol) | 266.341 |
| ChEBI | CHEBI:2904 |
| MDL Number | MFCD00057645 |
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O |
| Synonym | atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm |
| IUPAC Name | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| InChI Key | METKIMKYRPQLGS-UHFFFAOYSA-N |
| Molecular Formula | C14H22N2O3 |
Ethyl Benzoate, 99+%
CAS: 93-89-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00009109 InChI Key: MTZQAGJQAFMTAQ-UHFFFAOYSA-N Synonym: benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 PubChem CID: 7165 IUPAC Name: ethyl benzoate SMILES: CCOC(=O)C1=CC=CC=C1
| PubChem CID | 7165 |
|---|---|
| CAS | 93-89-0 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00009109 |
| SMILES | CCOC(=O)C1=CC=CC=C1 |
| Synonym | benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 |
| IUPAC Name | ethyl benzoate |
| InChI Key | MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Benzyltrimethylammonium hydroxide, 40% w/w aq. soln.
CAS: 100-85-6 Molecular Formula: C10H17NO Molecular Weight (g/mol): 167.252 MDL Number: MFCD00008281 InChI Key: NDKBVBUGCNGSJJ-UHFFFAOYSA-M Synonym: benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide PubChem CID: 66854 IUPAC Name: benzyl(trimethyl)azanium;hydroxide SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]
| PubChem CID | 66854 |
|---|---|
| CAS | 100-85-6 |
| Molecular Weight (g/mol) | 167.252 |
| MDL Number | MFCD00008281 |
| SMILES | C[N+](C)(C)CC1=CC=CC=C1.[OH-] |
| Synonym | benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide |
| IUPAC Name | benzyl(trimethyl)azanium;hydroxide |
| InChI Key | NDKBVBUGCNGSJJ-UHFFFAOYSA-M |
| Molecular Formula | C10H17NO |
Di-n-butyl phthalate, 99%, Thermo Scientific Chemicals
CAS: 84-74-2 Molecular Formula: C16H22O4 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00009441 InChI Key: DOIRQSBPFJWKBE-UHFFFAOYSA-N Synonym: dibutyl phthalate,di-n-butyl phthalate,n-butyl phthalate,butyl phthalate,celluflex dpb,elaol,genoplast b,palatinol c,polycizer dbp,unimoll db PubChem CID: 3026 ChEBI: CHEBI:34687 IUPAC Name: 1,2-dibutyl benzene-1,2-dicarboxylate SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
| PubChem CID | 3026 |
|---|---|
| CAS | 84-74-2 |
| Molecular Weight (g/mol) | 278.35 |
| ChEBI | CHEBI:34687 |
| MDL Number | MFCD00009441 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
| Synonym | dibutyl phthalate,di-n-butyl phthalate,n-butyl phthalate,butyl phthalate,celluflex dpb,elaol,genoplast b,palatinol c,polycizer dbp,unimoll db |
| IUPAC Name | 1,2-dibutyl benzene-1,2-dicarboxylate |
| InChI Key | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
| Molecular Formula | C16H22O4 |
2-Aminoterephthalic acid, 98.5%, Thermo Scientific Chemicals
CAS: 10312-55-7 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-L Synonym: aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 PubChem CID: 2724822 IUPAC Name: 2-aminoterephthalic acid SMILES: NC1=CC(=CC=C1C([O-])=O)C([O-])=O
| PubChem CID | 2724822 |
|---|---|
| CAS | 10312-55-7 |
| Molecular Weight (g/mol) | 179.13 |
| MDL Number | MFCD00134536 |
| SMILES | NC1=CC(=CC=C1C([O-])=O)C([O-])=O |
| Synonym | aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 |
| IUPAC Name | 2-aminoterephthalic acid |
| InChI Key | GPNNOCMCNFXRAO-UHFFFAOYSA-L |
| Molecular Formula | C8H5NO4 |