Benzene and substituted derivatives
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Neostigmine bromide
CAS: 114-80-7 Molecular Formula: C12H19BrN2O2 Molecular Weight (g/mol): 303.20 MDL Number: MFCD00011795 InChI Key: LULNWZDBKTWDGK-UHFFFAOYSA-M Synonym: neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide PubChem CID: 8246 ChEBI: CHEBI:179557 IUPAC Name: 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide SMILES: [Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
| PubChem CID | 8246 |
|---|---|
| CAS | 114-80-7 |
| Molecular Weight (g/mol) | 303.20 |
| ChEBI | CHEBI:179557 |
| MDL Number | MFCD00011795 |
| SMILES | [Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C |
| Synonym | neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide |
| IUPAC Name | 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide |
| InChI Key | LULNWZDBKTWDGK-UHFFFAOYSA-M |
| Molecular Formula | C12H19BrN2O2 |
Methyl pentafluorophenyl carbonate, 97%, Thermo Scientific Chemicals
CAS: 36919-03-6 Molecular Formula: C8H3F5O3 Molecular Weight (g/mol): 242.10 MDL Number: MFCD01075723 InChI Key: HGYOVHMDBHQLOE-UHFFFAOYSA-N Synonym: methyl pentafluorophenyl carbonate,carbonic acid, methyl pentafluorophenyl ester,acmc-20akf4,pentafluorophenoxy methoxy ketone,methyl perfluorophenyl carbonate,carbonic acid methyl pentafluorophenyl ester PubChem CID: 14189360 SMILES: COC(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 14189360 |
|---|---|
| CAS | 36919-03-6 |
| Molecular Weight (g/mol) | 242.10 |
| MDL Number | MFCD01075723 |
| SMILES | COC(=O)OC1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | methyl pentafluorophenyl carbonate,carbonic acid, methyl pentafluorophenyl ester,acmc-20akf4,pentafluorophenoxy methoxy ketone,methyl perfluorophenyl carbonate,carbonic acid methyl pentafluorophenyl ester |
| InChI Key | HGYOVHMDBHQLOE-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O3 |
Hydroquinone bis(2-hydroxyethyl) ether, 95%
CAS: 104-38-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00002861 InChI Key: WTPYFJNYAMXZJG-UHFFFAOYSA-N Synonym: hydroquinone bis 2-hydroxyethyl ether,1,4-bis 2-hydroxyethoxy benzene,vernatzer 30/10,2,2'-1,4-phenylenebis oxy diethanol,hydroquinone di 2-hydroxyethyl ether,hydroquinone diethylol ether,2,2'-phenylenedioxy diethanol,2,2'-p-phenylenedioxy diethanol,2,2'-p-phenylenedioxydiethanol,2-4-2-hydroxyethoxy phenoxy ethanol PubChem CID: 66912 IUPAC Name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol SMILES: C1=CC(=CC=C1OCCO)OCCO
| PubChem CID | 66912 |
|---|---|
| CAS | 104-38-1 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00002861 |
| SMILES | C1=CC(=CC=C1OCCO)OCCO |
| Synonym | hydroquinone bis 2-hydroxyethyl ether,1,4-bis 2-hydroxyethoxy benzene,vernatzer 30/10,2,2'-1,4-phenylenebis oxy diethanol,hydroquinone di 2-hydroxyethyl ether,hydroquinone diethylol ether,2,2'-phenylenedioxy diethanol,2,2'-p-phenylenedioxy diethanol,2,2'-p-phenylenedioxydiethanol,2-4-2-hydroxyethoxy phenoxy ethanol |
| IUPAC Name | 2-[4-(2-hydroxyethoxy)phenoxy]ethanol |
| InChI Key | WTPYFJNYAMXZJG-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
Diphenyl carbonate, 99%
CAS: 102-09-0 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 InChI Key: ROORDVPLFPIABK-UHFFFAOYSA-N Synonym: carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate PubChem CID: 7597 ChEBI: CHEBI:34722 IUPAC Name: diphenyl carbonate SMILES: C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2
| PubChem CID | 7597 |
|---|---|
| CAS | 102-09-0 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34722 |
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2 |
| Synonym | carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate |
| IUPAC Name | diphenyl carbonate |
| InChI Key | ROORDVPLFPIABK-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
Propylene Phenoxytol, Reagent, Spectrum™ Chemical
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CAS: 770-35-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00016861 InChI Key: IBLKWZIFZMJLFL-UHFFFAOYNA-N IUPAC Name: 1-phenoxypropan-2-ol SMILES: CC(O)COC1=CC=CC=C1
| CAS | 770-35-4 |
|---|---|
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00016861 |
| SMILES | CC(O)COC1=CC=CC=C1 |
| IUPAC Name | 1-phenoxypropan-2-ol |
| InChI Key | IBLKWZIFZMJLFL-UHFFFAOYNA-N |
| Molecular Formula | C9H12O2 |
4-Ethoxyphenylacetic acid, 98%
CAS: 4919-33-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00004346 InChI Key: ZVVWZNFSMIFGEP-UHFFFAOYSA-N Synonym: 4-ethoxyphenylacetic acid,2-4-ethoxyphenyl acetic acid,4-ethoxyphenyl acetic acid,benzeneacetic acid, 4-ethoxy,p-ethoxyphenylacetic acid,para-ethoxyphenylacetic acid,acmc-20amjb,4-ethoxyphenylaceticacid,enamine_004828,p-ethoxyphenyl acetic acid PubChem CID: 78631 IUPAC Name: 2-(4-ethoxyphenyl)acetic acid SMILES: CCOC1=CC=C(C=C1)CC(=O)O
| PubChem CID | 78631 |
|---|---|
| CAS | 4919-33-9 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00004346 |
| SMILES | CCOC1=CC=C(C=C1)CC(=O)O |
| Synonym | 4-ethoxyphenylacetic acid,2-4-ethoxyphenyl acetic acid,4-ethoxyphenyl acetic acid,benzeneacetic acid, 4-ethoxy,p-ethoxyphenylacetic acid,para-ethoxyphenylacetic acid,acmc-20amjb,4-ethoxyphenylaceticacid,enamine_004828,p-ethoxyphenyl acetic acid |
| IUPAC Name | 2-(4-ethoxyphenyl)acetic acid |
| InChI Key | ZVVWZNFSMIFGEP-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Phenyl methanesulfonate, 98%
CAS: 16156-59-5 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00095143 InChI Key: WXVUCMFEGJUVTN-UHFFFAOYSA-N Synonym: phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester PubChem CID: 316170 IUPAC Name: phenyl methanesulfonate SMILES: CS(=O)(=O)OC1=CC=CC=C1
| PubChem CID | 316170 |
|---|---|
| CAS | 16156-59-5 |
| Molecular Weight (g/mol) | 172.20 |
| MDL Number | MFCD00095143 |
| SMILES | CS(=O)(=O)OC1=CC=CC=C1 |
| Synonym | phenyl methylsulfonate,phenyl methyl sulfonate,acmc-1bs7l,phenylmethanesulfonate 4,phenyl methanesulfonate,methanesulfonic acid,phenyl ester,methanesulfonic acid phenyl ester,methanesulfonic acid, phenyl ester |
| IUPAC Name | phenyl methanesulfonate |
| InChI Key | WXVUCMFEGJUVTN-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3S |
(4-Bromophenoxy)-tert-butyldimethylsilane, 97%
CAS: 67963-68-2 Molecular Formula: C12H19BrOSi Molecular Weight (g/mol): 287.27 MDL Number: MFCD00239382 InChI Key: DLGZGLKSNRKLSM-UHFFFAOYSA-N Synonym: 4-bromophenoxy tert-butyl dimethylsilane,4-bromophenoxy-tert-butyldimethylsilane,p-bromophenoxy t-butyl dimethylsilane,4-bromophenoxy-tert-butyl-dimethylsilane,1-bromo-4-tert-butyldimethylsiloxy benzene,4-bromophenol tert-butyldimethylsilyl ether,silane, 4-bromophenoxy 1,1-dimethylethyl dimethyl,1-bromo-4-1,1-dimethylethyl dimethylsilyl oxy benzene,acmc-1b8oo PubChem CID: 4227167 IUPAC Name: (4-bromophenoxy)-tert-butyl-dimethylsilane SMILES: CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)Br
| PubChem CID | 4227167 |
|---|---|
| CAS | 67963-68-2 |
| Molecular Weight (g/mol) | 287.27 |
| MDL Number | MFCD00239382 |
| SMILES | CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)Br |
| Synonym | 4-bromophenoxy tert-butyl dimethylsilane,4-bromophenoxy-tert-butyldimethylsilane,p-bromophenoxy t-butyl dimethylsilane,4-bromophenoxy-tert-butyl-dimethylsilane,1-bromo-4-tert-butyldimethylsiloxy benzene,4-bromophenol tert-butyldimethylsilyl ether,silane, 4-bromophenoxy 1,1-dimethylethyl dimethyl,1-bromo-4-1,1-dimethylethyl dimethylsilyl oxy benzene,acmc-1b8oo |
| IUPAC Name | (4-bromophenoxy)-tert-butyl-dimethylsilane |
| InChI Key | DLGZGLKSNRKLSM-UHFFFAOYSA-N |
| Molecular Formula | C12H19BrOSi |
Diphenyl chlorophosphate, 98%
CAS: 2524-64-3 Molecular Formula: C12H10ClO3P Molecular Weight (g/mol): 268.63 MDL Number: MFCD00003030 InChI Key: BHIIGRBMZRSDRI-UHFFFAOYSA-N Synonym: diphenyl chlorophosphate,diphenyl phosphorochloridate,diphenylchlorophosphate,phosphorochloridic acid, diphenyl ester,chlorodiphenyl phosphate,o,o-diphenyl chlorophosphate,chlorodiphenoxyphosphine oxide,diphenoxychlorophosphine oxide,diphenyl chlorophosphonate,diphenylphosphoric acid monochloride PubChem CID: 75654 IUPAC Name: [chloro(phenoxy)phosphoryl]oxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl
| PubChem CID | 75654 |
|---|---|
| CAS | 2524-64-3 |
| Molecular Weight (g/mol) | 268.63 |
| MDL Number | MFCD00003030 |
| SMILES | C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl |
| Synonym | diphenyl chlorophosphate,diphenyl phosphorochloridate,diphenylchlorophosphate,phosphorochloridic acid, diphenyl ester,chlorodiphenyl phosphate,o,o-diphenyl chlorophosphate,chlorodiphenoxyphosphine oxide,diphenoxychlorophosphine oxide,diphenyl chlorophosphonate,diphenylphosphoric acid monochloride |
| IUPAC Name | [chloro(phenoxy)phosphoryl]oxybenzene |
| InChI Key | BHIIGRBMZRSDRI-UHFFFAOYSA-N |
| Molecular Formula | C12H10ClO3P |
4-Methylbenzophenone, 98%
CAS: 134-84-9 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008553 InChI Key: WXPWZZHELZEVPO-UHFFFAOYSA-N Synonym: 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl PubChem CID: 8652 IUPAC Name: (4-methylphenyl)-phenylmethanone SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 8652 |
|---|---|
| CAS | 134-84-9 |
| Molecular Weight (g/mol) | 196.249 |
| MDL Number | MFCD00008553 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl |
| IUPAC Name | (4-methylphenyl)-phenylmethanone |
| InChI Key | WXPWZZHELZEVPO-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
Benzophenone, 99%, Spectrum™ Chemical
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CAS: 119-61-9
| CAS | 119-61-9 |
|---|
2-Ethylbenzaldehyde, 97%
CAS: 22927-13-5 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD02261766 InChI Key: NTWBHJYRDKBGBR-UHFFFAOYSA-N Synonym: benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p PubChem CID: 123406 IUPAC Name: 2-ethylbenzaldehyde SMILES: CCC1=CC=CC=C1C=O
| PubChem CID | 123406 |
|---|---|
| CAS | 22927-13-5 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD02261766 |
| SMILES | CCC1=CC=CC=C1C=O |
| Synonym | benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p |
| IUPAC Name | 2-ethylbenzaldehyde |
| InChI Key | NTWBHJYRDKBGBR-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
4-(Diethylamino)benzaldehyde, 98+%
CAS: 120-21-8 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.25 MDL Number: MFCD00003382 InChI Key: MNFZZNNFORDXSV-UHFFFAOYSA-N Synonym: 4-diethylamino benzaldehyde,benzaldehyde, 4-diethylamino,p-diethylamino benzaldehyde,p-formyl-n,n-diethylaniline,4-diethylamino-benzaldehyde,benzaldehyde, p-diethylamino,unii-s640xwl10h,p-n,n-diethylaminobenzaldehyde,p-diethylaminobenzaldehyde,4-n,n-diethylamino benzaldehyde PubChem CID: 67114 ChEBI: CHEBI:86194 IUPAC Name: 4-(diethylamino)benzaldehyde SMILES: CCN(CC)C1=CC=C(C=C1)C=O
| PubChem CID | 67114 |
|---|---|
| CAS | 120-21-8 |
| Molecular Weight (g/mol) | 177.25 |
| ChEBI | CHEBI:86194 |
| MDL Number | MFCD00003382 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C=O |
| Synonym | 4-diethylamino benzaldehyde,benzaldehyde, 4-diethylamino,p-diethylamino benzaldehyde,p-formyl-n,n-diethylaniline,4-diethylamino-benzaldehyde,benzaldehyde, p-diethylamino,unii-s640xwl10h,p-n,n-diethylaminobenzaldehyde,p-diethylaminobenzaldehyde,4-n,n-diethylamino benzaldehyde |
| IUPAC Name | 4-(diethylamino)benzaldehyde |
| InChI Key | MNFZZNNFORDXSV-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO |
4-Methoxy-2-methylbenzaldehyde, 95%
CAS: 52289-54-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD02261771 InChI Key: WICYVKGMEJSDAO-UHFFFAOYSA-N Synonym: 2-methyl-4-methoxybenzaldehyde,4-methoxy-2-methyl-benzaldehyde,benzaldehyde, 4-methoxy-2-methyl,2-methyl-p-anisaldehyde,2-methyl-anisaldehyde,acmc-1aoyo,4-methoxy-2-methylbenzaldehyd,4-methoxy-2-methylbenzaldehyde,3-furane-2-amido benzoic acid PubChem CID: 283285 IUPAC Name: 4-methoxy-2-methylbenzaldehyde SMILES: CC1=C(C=CC(=C1)OC)C=O
| PubChem CID | 283285 |
|---|---|
| CAS | 52289-54-0 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD02261771 |
| SMILES | CC1=C(C=CC(=C1)OC)C=O |
| Synonym | 2-methyl-4-methoxybenzaldehyde,4-methoxy-2-methyl-benzaldehyde,benzaldehyde, 4-methoxy-2-methyl,2-methyl-p-anisaldehyde,2-methyl-anisaldehyde,acmc-1aoyo,4-methoxy-2-methylbenzaldehyd,4-methoxy-2-methylbenzaldehyde,3-furane-2-amido benzoic acid |
| IUPAC Name | 4-methoxy-2-methylbenzaldehyde |
| InChI Key | WICYVKGMEJSDAO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |