Benzene and substituted derivatives
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Phloroglucide hydrate, 95%
CAS: 491-45-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD01543374 InChI Key: KICYRZIVKKYRFS-UHFFFAOYSA-N Synonym: phloroglucide,2,3',4,5',6-biphenylpentol,2-3,5-dihydroxyphenyl benzene-1,3,5-triol,1,1'-biphenyl-2,3',4,5',6-pentol,phloroglucide hydrate,1,1'-biphenyl-2,3',4,5',6-pentaol,phloroglucid,d0o8yz,2,4,5',6-biphenylpentol PubChem CID: 248349 IUPAC Name: 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol SMILES: OC1=CC(O)=C(C(O)=C1)C1=CC(O)=CC(O)=C1
| PubChem CID | 248349 |
|---|---|
| CAS | 491-45-2 |
| Molecular Weight (g/mol) | 234.21 |
| MDL Number | MFCD01543374 |
| SMILES | OC1=CC(O)=C(C(O)=C1)C1=CC(O)=CC(O)=C1 |
| Synonym | phloroglucide,2,3',4,5',6-biphenylpentol,2-3,5-dihydroxyphenyl benzene-1,3,5-triol,1,1'-biphenyl-2,3',4,5',6-pentol,phloroglucide hydrate,1,1'-biphenyl-2,3',4,5',6-pentaol,phloroglucid,d0o8yz,2,4,5',6-biphenylpentol |
| IUPAC Name | 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol |
| InChI Key | KICYRZIVKKYRFS-UHFFFAOYSA-N |
| Molecular Formula | C12H10O5 |
Phloroglucide, 95%
CAS: 491-45-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD01543374 InChI Key: KICYRZIVKKYRFS-UHFFFAOYSA-N Synonym: phloroglucide,2,3',4,5',6-biphenylpentol,2-3,5-dihydroxyphenyl benzene-1,3,5-triol,1,1'-biphenyl-2,3',4,5',6-pentol,phloroglucide hydrate,1,1'-biphenyl-2,3',4,5',6-pentaol,phloroglucid,d0o8yz,2,4,5',6-biphenylpentol PubChem CID: 248349 SMILES: OC1=CC(O)=C(C(O)=C1)C1=CC(O)=CC(O)=C1
| PubChem CID | 248349 |
|---|---|
| CAS | 491-45-2 |
| Molecular Weight (g/mol) | 234.21 |
| MDL Number | MFCD01543374 |
| SMILES | OC1=CC(O)=C(C(O)=C1)C1=CC(O)=CC(O)=C1 |
| Synonym | phloroglucide,2,3',4,5',6-biphenylpentol,2-3,5-dihydroxyphenyl benzene-1,3,5-triol,1,1'-biphenyl-2,3',4,5',6-pentol,phloroglucide hydrate,1,1'-biphenyl-2,3',4,5',6-pentaol,phloroglucid,d0o8yz,2,4,5',6-biphenylpentol |
| InChI Key | KICYRZIVKKYRFS-UHFFFAOYSA-N |
| Molecular Formula | C12H10O5 |
4-(Hexyloxy)benzoic Acid, Spectrum™ Chemical
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CAS: 1142-39-8 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.28 InChI Key: HBQUXMZZODHFMJ-UHFFFAOYSA-N IUPAC Name: 4-(hexyloxy)benzoic acid SMILES: CCCCCCOC1=CC=C(C=C1)C(O)=O
| CAS | 1142-39-8 |
|---|---|
| Molecular Weight (g/mol) | 222.28 |
| SMILES | CCCCCCOC1=CC=C(C=C1)C(O)=O |
| IUPAC Name | 4-(hexyloxy)benzoic acid |
| InChI Key | HBQUXMZZODHFMJ-UHFFFAOYSA-N |
| Molecular Formula | C13H18O3 |
3,5-Dimethoxytoluene, 98%
CAS: 4179-19-5 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00015435 InChI Key: RIZBLVRXRWHLFA-UHFFFAOYSA-N Synonym: 3,5-dimethoxytoluene,orcinol dimethyl ether,benzene, 1,3-dimethoxy-5-methyl,5-methylresorcinol dimethyl ether,3,5-dimethoxy toluene,toluene, 3,5-dimethoxy,1,3-dimethoxy-5-methyl-benzene,pubchem17775,acmc-1ak5i PubChem CID: 77844 IUPAC Name: 1,3-dimethoxy-5-methylbenzene SMILES: COC1=CC(OC)=CC(C)=C1
| PubChem CID | 77844 |
|---|---|
| CAS | 4179-19-5 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00015435 |
| SMILES | COC1=CC(OC)=CC(C)=C1 |
| Synonym | 3,5-dimethoxytoluene,orcinol dimethyl ether,benzene, 1,3-dimethoxy-5-methyl,5-methylresorcinol dimethyl ether,3,5-dimethoxy toluene,toluene, 3,5-dimethoxy,1,3-dimethoxy-5-methyl-benzene,pubchem17775,acmc-1ak5i |
| IUPAC Name | 1,3-dimethoxy-5-methylbenzene |
| InChI Key | RIZBLVRXRWHLFA-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
Ethyl 3-phenoxypropionate, 98%
CAS: 22409-91-2 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00026919 InChI Key: TXKJOPXGYSFUNC-UHFFFAOYSA-N PubChem CID: 347973 IUPAC Name: ethyl 3-phenoxypropanoate SMILES: CCOC(=O)CCOC1=CC=CC=C1
| PubChem CID | 347973 |
|---|---|
| CAS | 22409-91-2 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00026919 |
| SMILES | CCOC(=O)CCOC1=CC=CC=C1 |
| IUPAC Name | ethyl 3-phenoxypropanoate |
| InChI Key | TXKJOPXGYSFUNC-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
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-Ethoxybenzoic acid, 98+%
CAS: 619-86-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002545 InChI Key: SHSGDXCJYVZFTP-UHFFFAOYSA-N Synonym: p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid PubChem CID: 12093 IUPAC Name: 4-ethoxybenzoic acid SMILES: CCOC1=CC=C(C=C1)C(=O)O
| PubChem CID | 12093 |
|---|---|
| CAS | 619-86-3 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002545 |
| SMILES | CCOC1=CC=C(C=C1)C(=O)O |
| Synonym | p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid |
| IUPAC Name | 4-ethoxybenzoic acid |
| InChI Key | SHSGDXCJYVZFTP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3-(Pyridin-2-yloxy)aniline, 97%, Thermo Scientific™
CAS: 86556-09-4 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD06825506 InChI Key: CLQMOPKXIBQKKG-UHFFFAOYSA-N Synonym: 3-pyridin-2-yloxy aniline,3-pyridin-2-yloxy-phenylamine,3-2-pyridyloxy aniline,3-2-pyridyloxy phenylamine,3-pyridin-2-yl oxy aniline,benzenamine,3-2-pyridinyloxy,benzenamine, 3-2-pyridinyloxy PubChem CID: 13150573 IUPAC Name: 3-pyridin-2-yloxyaniline SMILES: NC1=CC(OC2=CC=CC=N2)=CC=C1
| PubChem CID | 13150573 |
|---|---|
| CAS | 86556-09-4 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD06825506 |
| SMILES | NC1=CC(OC2=CC=CC=N2)=CC=C1 |
| Synonym | 3-pyridin-2-yloxy aniline,3-pyridin-2-yloxy-phenylamine,3-2-pyridyloxy aniline,3-2-pyridyloxy phenylamine,3-pyridin-2-yl oxy aniline,benzenamine,3-2-pyridinyloxy,benzenamine, 3-2-pyridinyloxy |
| IUPAC Name | 3-pyridin-2-yloxyaniline |
| InChI Key | CLQMOPKXIBQKKG-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
Phenyl chlorothionoformate, 98+%
CAS: 1005-56-7 Molecular Formula: C7H5ClOS Molecular Weight (g/mol): 172.63 MDL Number: MFCD00004920 InChI Key: KOSYAAIZOGNATQ-UHFFFAOYSA-N Synonym: o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate PubChem CID: 70498 SMILES: ClC(=S)OC1=CC=CC=C1
| PubChem CID | 70498 |
|---|---|
| CAS | 1005-56-7 |
| Molecular Weight (g/mol) | 172.63 |
| MDL Number | MFCD00004920 |
| SMILES | ClC(=S)OC1=CC=CC=C1 |
| Synonym | o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate |
| InChI Key | KOSYAAIZOGNATQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClOS |
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 |
Phenyl carbamate, 98+%
CAS: 622-46-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007961 InChI Key: BSCCSDNZEIHXOK-UHFFFAOYSA-N Synonym: carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate PubChem CID: 69322 IUPAC Name: phenyl carbamate SMILES: C1=CC=C(C=C1)OC(=O)N
| PubChem CID | 69322 |
|---|---|
| CAS | 622-46-8 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00007961 |
| SMILES | C1=CC=C(C=C1)OC(=O)N |
| Synonym | carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate |
| IUPAC Name | phenyl carbamate |
| InChI Key | BSCCSDNZEIHXOK-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Allyl phenyl ether, 99%
CAS: 1746-13-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00008644 InChI Key: POSICDHOUBKJKP-UHFFFAOYSA-N Synonym: allyl phenyl ether,allyloxy benzene,allyloxybenzene,benzene, 2-propenyloxy,allyl phenoxylate,phenyl allyl ether,ether, allyl phenyl,3-phenoxypropene,phenylpropenyl ether,phenyl 2-propenyl ether PubChem CID: 74458 IUPAC Name: prop-2-enoxybenzene SMILES: C=CCOC1=CC=CC=C1
| PubChem CID | 74458 |
|---|---|
| CAS | 1746-13-0 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00008644 |
| SMILES | C=CCOC1=CC=CC=C1 |
| Synonym | allyl phenyl ether,allyloxy benzene,allyloxybenzene,benzene, 2-propenyloxy,allyl phenoxylate,phenyl allyl ether,ether, allyl phenyl,3-phenoxypropene,phenylpropenyl ether,phenyl 2-propenyl ether |
| IUPAC Name | prop-2-enoxybenzene |
| InChI Key | POSICDHOUBKJKP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
3-Phenoxy-1-propanol, 97%
CAS: 6180-61-6 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00039549 InChI Key: AWVDYRFLCAZENH-UHFFFAOYSA-N Synonym: 3-phenoxy-1-propanol,1-propanol, 3-phenoxy,3-phenoxy 1-propanol,unii-515pbp1u72,propoxylated phenol,ph 4p,polypropylene glycol phenyl ether,3-phenoxypropanol,3-phenyloxypropanol,polypropylene glycol monophenyl ether PubChem CID: 80319 IUPAC Name: 3-phenoxypropan-1-ol SMILES: OCCCOC1=CC=CC=C1
| PubChem CID | 80319 |
|---|---|
| CAS | 6180-61-6 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00039549 |
| SMILES | OCCCOC1=CC=CC=C1 |
| Synonym | 3-phenoxy-1-propanol,1-propanol, 3-phenoxy,3-phenoxy 1-propanol,unii-515pbp1u72,propoxylated phenol,ph 4p,polypropylene glycol phenyl ether,3-phenoxypropanol,3-phenyloxypropanol,polypropylene glycol monophenyl ether |
| IUPAC Name | 3-phenoxypropan-1-ol |
| InChI Key | AWVDYRFLCAZENH-UHFFFAOYSA-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 |