Benzene and substituted derivatives
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N-Methyl-2-(tetrahydropyran-4-yloxy)benzylamine, 95%, Thermo Scientific™
CAS: 906352-71-4 Molecular Formula: C13H19NO2 Molecular Weight (g/mol): 221.3 MDL Number: MFCD09064962 InChI Key: ZTMRIJRRCHAUNA-UHFFFAOYSA-N Synonym: n-methyl-2-tetrahydropyran-4-yloxy benzylamine,n-methyl-1-2-tetrahydro-2h-pyran-4-yl oxy phenyl methanamine,methyl 2-oxan-4-yloxy phenyl methyl amine,n-methyl-n-2-tetrahydro-2h-pyran-4-yloxy benzyl amine,n-methyl-1-2-oxan-4-yl oxy phenyl methanamine,methyl 2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methyl amine,n-methyl-1-2-tetrahydro-2h-pyran-4-yl ;oxy ;phenyl ;methanamine PubChem CID: 24229518 IUPAC Name: N-methyl-1-[2-(oxan-4-yloxy)phenyl]methanamine SMILES: CNCC1=CC=CC=C1OC2CCOCC2
| PubChem CID | 24229518 |
|---|---|
| CAS | 906352-71-4 |
| Molecular Weight (g/mol) | 221.3 |
| MDL Number | MFCD09064962 |
| SMILES | CNCC1=CC=CC=C1OC2CCOCC2 |
| Synonym | n-methyl-2-tetrahydropyran-4-yloxy benzylamine,n-methyl-1-2-tetrahydro-2h-pyran-4-yl oxy phenyl methanamine,methyl 2-oxan-4-yloxy phenyl methyl amine,n-methyl-n-2-tetrahydro-2h-pyran-4-yloxy benzyl amine,n-methyl-1-2-oxan-4-yl oxy phenyl methanamine,methyl 2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methyl amine,n-methyl-1-2-tetrahydro-2h-pyran-4-yl ;oxy ;phenyl ;methanamine |
| IUPAC Name | N-methyl-1-[2-(oxan-4-yloxy)phenyl]methanamine |
| InChI Key | ZTMRIJRRCHAUNA-UHFFFAOYSA-N |
| Molecular Formula | C13H19NO2 |
2-Hydroxybenzylamine, 98%
CAS: 932-30-9 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00870498 InChI Key: KPRZOPQOBJRYSW-UHFFFAOYSA-N Synonym: 2-aminomethyl phenol,2-hydroxybenzylamine,phenol, 2-aminomethyl,o-hydroxybenzylamine,2-hydroxyphenyl methylamine,unii-696r5n4nrm,salicylamine,aminomethyl phenol,o-aminomethylphenol,o-hydroxy-benzylamine PubChem CID: 70267 IUPAC Name: 2-(aminomethyl)phenol SMILES: C1=CC=C(C(=C1)CN)O
| PubChem CID | 70267 |
|---|---|
| CAS | 932-30-9 |
| Molecular Weight (g/mol) | 123.15 |
| MDL Number | MFCD00870498 |
| SMILES | C1=CC=C(C(=C1)CN)O |
| Synonym | 2-aminomethyl phenol,2-hydroxybenzylamine,phenol, 2-aminomethyl,o-hydroxybenzylamine,2-hydroxyphenyl methylamine,unii-696r5n4nrm,salicylamine,aminomethyl phenol,o-aminomethylphenol,o-hydroxy-benzylamine |
| IUPAC Name | 2-(aminomethyl)phenol |
| InChI Key | KPRZOPQOBJRYSW-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
2,6-Dichlorobenzylamine, 98%
CAS: 6575-27-5 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00047928 InChI Key: VLVLNNQMURDGPM-UHFFFAOYSA-N Synonym: 2,6-dichlorobenzylamine,2,6-dichlorophenyl methanamine,benzenemethanamine, 2,6-dichloro,2,6-dichlorophenyl methylamine,1-2,6-dichlorophenyl methanamine,pubchem15690,2,6-dichloro-benzylamine,acmc-20ao98,chembl13305,benzenemethanamine,2,6-dichloro PubChem CID: 485432 IUPAC Name: (2,6-dichlorophenyl)methanamine SMILES: NCC1=C(Cl)C=CC=C1Cl
| PubChem CID | 485432 |
|---|---|
| CAS | 6575-27-5 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00047928 |
| SMILES | NCC1=C(Cl)C=CC=C1Cl |
| Synonym | 2,6-dichlorobenzylamine,2,6-dichlorophenyl methanamine,benzenemethanamine, 2,6-dichloro,2,6-dichlorophenyl methylamine,1-2,6-dichlorophenyl methanamine,pubchem15690,2,6-dichloro-benzylamine,acmc-20ao98,chembl13305,benzenemethanamine,2,6-dichloro |
| IUPAC Name | (2,6-dichlorophenyl)methanamine |
| InChI Key | VLVLNNQMURDGPM-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
Methyl 3-cyano-4-methoxybenzoate, 97%
CAS: 25978-74-9 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD00052930 InChI Key: RYJSFYBJYKFNCF-UHFFFAOYSA-N Synonym: benzoic acid, 3-cyano-4-methoxy-, methyl ester,acmc-1cj4t,methyl 3-cyano-4-methoxy-benzoate,methyl 3-cyano-4-methoxybenzoate.,methyl 3-cyano-4-methyloxy benzoate,3-cyano-4-methoxy-benzoic acid methyl ester,benzoicacid,3-cyano-4-methoxy-,methyl ester PubChem CID: 2801011 IUPAC Name: methyl 3-cyano-4-methoxybenzoate SMILES: COC1=C(C=C(C=C1)C(=O)OC)C#N
| PubChem CID | 2801011 |
|---|---|
| CAS | 25978-74-9 |
| Molecular Weight (g/mol) | 191.186 |
| MDL Number | MFCD00052930 |
| SMILES | COC1=C(C=C(C=C1)C(=O)OC)C#N |
| Synonym | benzoic acid, 3-cyano-4-methoxy-, methyl ester,acmc-1cj4t,methyl 3-cyano-4-methoxy-benzoate,methyl 3-cyano-4-methoxybenzoate.,methyl 3-cyano-4-methyloxy benzoate,3-cyano-4-methoxy-benzoic acid methyl ester,benzoicacid,3-cyano-4-methoxy-,methyl ester |
| IUPAC Name | methyl 3-cyano-4-methoxybenzoate |
| InChI Key | RYJSFYBJYKFNCF-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3 |
Methylparaben Sodium, NF, 95-102%, Spectrum™ Chemical
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CAS: 5026-62-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.13 InChI Key: PESXGULMKCKJCC-UHFFFAOYSA-M IUPAC Name: sodium 4-(methoxycarbonyl)benzen-1-olate SMILES: [Na+].COC(=O)C1=CC=C([O-])C=C1
| CAS | 5026-62-0 |
|---|---|
| Molecular Weight (g/mol) | 174.13 |
| SMILES | [Na+].COC(=O)C1=CC=C([O-])C=C1 |
| IUPAC Name | sodium 4-(methoxycarbonyl)benzen-1-olate |
| InChI Key | PESXGULMKCKJCC-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO3 |
Methylparaben, Spectrum™ Chemical
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CAS: 99-76-3
| CAS | 99-76-3 |
|---|
4,4'-Dihydroxybenzophenone, 98+%
CAS: 611-99-4 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002358 InChI Key: RXNYJUSEXLAVNQ-UHFFFAOYSA-N Synonym: 4,4'-dihydroxybenzophenone,bis 4-hydroxyphenyl methanone,hbp ketone,methanone, bis 4-hydroxyphenyl,bis 4-hydroxyphenyl ketone,4,4'-dihydoxy-benzophenone,bis p-hydroxy benzophenone,p,p'-dihydroxybenzophenone,4,4'-dihydroxydiphenyl ketone,benzophenone, 4,4'-dihydroxy PubChem CID: 69150 ChEBI: CHEBI:34365 IUPAC Name: bis(4-hydroxyphenyl)methanone SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O
| PubChem CID | 69150 |
|---|---|
| CAS | 611-99-4 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34365 |
| MDL Number | MFCD00002358 |
| SMILES | C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O |
| Synonym | 4,4'-dihydroxybenzophenone,bis 4-hydroxyphenyl methanone,hbp ketone,methanone, bis 4-hydroxyphenyl,bis 4-hydroxyphenyl ketone,4,4'-dihydoxy-benzophenone,bis p-hydroxy benzophenone,p,p'-dihydroxybenzophenone,4,4'-dihydroxydiphenyl ketone,benzophenone, 4,4'-dihydroxy |
| IUPAC Name | bis(4-hydroxyphenyl)methanone |
| InChI Key | RXNYJUSEXLAVNQ-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
2-Benzoylbenzoic Acid, 98+%
CAS: 85-52-9 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00002472 InChI Key: FGTYTUFKXYPTML-UHFFFAOYSA-N Synonym: o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid PubChem CID: 6813 IUPAC Name: 2-benzoylbenzoic acid SMILES: OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1
| PubChem CID | 6813 |
|---|---|
| CAS | 85-52-9 |
| Molecular Weight (g/mol) | 226.23 |
| MDL Number | MFCD00002472 |
| SMILES | OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1 |
| Synonym | o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid |
| IUPAC Name | 2-benzoylbenzoic acid |
| InChI Key | FGTYTUFKXYPTML-UHFFFAOYSA-N |
| Molecular Formula | C14H10O3 |
2-Amino-5-chlorobenzophenone, 98+%
CAS: 719-59-5 Molecular Formula: C13H10ClNO Molecular Weight (g/mol): 231.68 MDL Number: MFCD00007839 InChI Key: ZUWXHHBROGLWNH-UHFFFAOYSA-N Synonym: 2-amino-5-chlorobenzophenone,2-amino-5-chlorophenyl phenyl methanone,2-benzoyl-4-chloroaniline,methanone, 2-amino-5-chlorophenyl phenyl,2-amino-5-chlorbenzophenone,5-chloro-2-aminobenzophenone,2-amino-5-chlorobenzylphenone,benzophenone, 2-amino-5-chloro,unii-fr80014zbt,2-amino-5-chlorophenyl phenylmethanone PubChem CID: 12870 IUPAC Name: (2-amino-5-chlorophenyl)-phenylmethanone SMILES: NC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1
| PubChem CID | 12870 |
|---|---|
| CAS | 719-59-5 |
| Molecular Weight (g/mol) | 231.68 |
| MDL Number | MFCD00007839 |
| SMILES | NC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1 |
| Synonym | 2-amino-5-chlorobenzophenone,2-amino-5-chlorophenyl phenyl methanone,2-benzoyl-4-chloroaniline,methanone, 2-amino-5-chlorophenyl phenyl,2-amino-5-chlorbenzophenone,5-chloro-2-aminobenzophenone,2-amino-5-chlorobenzylphenone,benzophenone, 2-amino-5-chloro,unii-fr80014zbt,2-amino-5-chlorophenyl phenylmethanone |
| IUPAC Name | (2-amino-5-chlorophenyl)-phenylmethanone |
| InChI Key | ZUWXHHBROGLWNH-UHFFFAOYSA-N |
| Molecular Formula | C13H10ClNO |
3-Phenyl-1-propylamine, 98%
CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1
| PubChem CID | 16259 |
|---|---|
| CAS | 2038-57-5 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008224 |
| SMILES | NCCCC1=CC=CC=C1 |
| Synonym | 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine |
| IUPAC Name | 3-phenylpropan-1-amine |
| InChI Key | LYUQWQRTDLVQGA-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
3-Phenylpropylamine, 98+%
CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1
| PubChem CID | 16259 |
|---|---|
| CAS | 2038-57-5 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00008224 |
| SMILES | NCCCC1=CC=CC=C1 |
| Synonym | 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine |
| IUPAC Name | 3-phenylpropan-1-amine |
| InChI Key | LYUQWQRTDLVQGA-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione, 99%
CAS: 893-33-4 Molecular Formula: C14H9F3O2 Molecular Weight (g/mol): 266.219 MDL Number: MFCD00054501 InChI Key: WVVLURYIQCXPIV-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-naphthalen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-naphthyl-1,3-butanedione,1-2-naphthoyl-3,3,3-trifluoroacetone,4,4,4-trifluoro-1-2-naphthyl butane-1,3-dione,3-2-naphthoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthalenyl,2-naphthoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthyl,4,4,4-trifluoro-3-oxo-2'-butyronaphthone,acmc-1bl5t PubChem CID: 70179 IUPAC Name: 4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F
| PubChem CID | 70179 |
|---|---|
| CAS | 893-33-4 |
| Molecular Weight (g/mol) | 266.219 |
| MDL Number | MFCD00054501 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F |
| Synonym | 4,4,4-trifluoro-1-naphthalen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-naphthyl-1,3-butanedione,1-2-naphthoyl-3,3,3-trifluoroacetone,4,4,4-trifluoro-1-2-naphthyl butane-1,3-dione,3-2-naphthoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthalenyl,2-naphthoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthyl,4,4,4-trifluoro-3-oxo-2'-butyronaphthone,acmc-1bl5t |
| IUPAC Name | 4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione |
| InChI Key | WVVLURYIQCXPIV-UHFFFAOYSA-N |
| Molecular Formula | C14H9F3O2 |
4,4'-Bis(diethylamino)benzophenone, 98+%
CAS: 90-93-7 Molecular Formula: C21H28N2O Molecular Weight (g/mol): 324.47 MDL Number: MFCD00009044 InChI Key: VYHBFRJRBHMIQZ-UHFFFAOYSA-N Synonym: 4,4'-bis diethylamino benzophenone,michler's ethyl ketone,bis 4-diethylamino phenyl methanone,methanone, bis 4-diethylamino phenyl,4,4'-tetraethyldiamino benzophenone,p,p'-bis diethylamino benzophenone,p,p'-tetraethyldiamino benzophenone,ethyl michler ketone PubChem CID: 66663 IUPAC Name: bis[4-(diethylamino)phenyl]methanone SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(CC)CC
| PubChem CID | 66663 |
|---|---|
| CAS | 90-93-7 |
| Molecular Weight (g/mol) | 324.47 |
| MDL Number | MFCD00009044 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(CC)CC |
| Synonym | 4,4'-bis diethylamino benzophenone,michler's ethyl ketone,bis 4-diethylamino phenyl methanone,methanone, bis 4-diethylamino phenyl,4,4'-tetraethyldiamino benzophenone,p,p'-bis diethylamino benzophenone,p,p'-tetraethyldiamino benzophenone,ethyl michler ketone |
| IUPAC Name | bis[4-(diethylamino)phenyl]methanone |
| InChI Key | VYHBFRJRBHMIQZ-UHFFFAOYSA-N |
| Molecular Formula | C21H28N2O |
4-Fluorobenzophenone, 97%
CAS: 345-83-5 Molecular Formula: C13H9FO Molecular Weight (g/mol): 200.21 MDL Number: MFCD00000352 InChI Key: OGTSHGYHILFRHD-UHFFFAOYSA-N Synonym: 4-fluorobenzophenone,4-fluorophenyl phenyl methanone,p-fluorobenzophenone,methanone, 4-fluorophenyl phenyl,4-fluorophenyl phenyl ketone,4-fluorophenyl-phenylmethanone,4'-fluorobenzophenone,4-fluoro-benzophenone,pubchem3308,benzophenone, 4-fluoro PubChem CID: 67663 IUPAC Name: (4-fluorophenyl)-phenylmethanone SMILES: FC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 67663 |
|---|---|
| CAS | 345-83-5 |
| Molecular Weight (g/mol) | 200.21 |
| MDL Number | MFCD00000352 |
| SMILES | FC1=CC=C(C=C1)C(=O)C1=CC=CC=C1 |
| Synonym | 4-fluorobenzophenone,4-fluorophenyl phenyl methanone,p-fluorobenzophenone,methanone, 4-fluorophenyl phenyl,4-fluorophenyl phenyl ketone,4-fluorophenyl-phenylmethanone,4'-fluorobenzophenone,4-fluoro-benzophenone,pubchem3308,benzophenone, 4-fluoro |
| IUPAC Name | (4-fluorophenyl)-phenylmethanone |
| InChI Key | OGTSHGYHILFRHD-UHFFFAOYSA-N |
| Molecular Formula | C13H9FO |
2'-Acetonaphthone, 99%
CAS: 93-08-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 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) | 170.21 |
| 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 |