Benzenoids
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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 |
3-Chloro-4-methoxybenzoic acid, 98+%
CAS: 37908-96-6 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00016512 InChI Key: IBCQUQXCTOPJOD-UHFFFAOYSA-N Synonym: 3-chloro-p-anisic acid,3-chloro-4-methoxybenzolic acid,benzoic acid, 3-chloro-4-methoxy,pubchem19130,acmc-209iw4,ksc494s0j,3-chloro-4-methoxybenzoicacid,rarechem al bo 2400,3-chloro-4-anisic acid,3-chloro-4-methoxy benzoic acid PubChem CID: 169982 IUPAC Name: 3-chloro-4-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)Cl
| PubChem CID | 169982 |
|---|---|
| CAS | 37908-96-6 |
| Molecular Weight (g/mol) | 186.591 |
| MDL Number | MFCD00016512 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)Cl |
| Synonym | 3-chloro-p-anisic acid,3-chloro-4-methoxybenzolic acid,benzoic acid, 3-chloro-4-methoxy,pubchem19130,acmc-209iw4,ksc494s0j,3-chloro-4-methoxybenzoicacid,rarechem al bo 2400,3-chloro-4-anisic acid,3-chloro-4-methoxy benzoic acid |
| IUPAC Name | 3-chloro-4-methoxybenzoic acid |
| InChI Key | IBCQUQXCTOPJOD-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3 |
2,3-Dihydroxybenzoic acid, 98%
CAS: 303-38-8 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002446 InChI Key: GLDQAMYCGOIJDV-UHFFFAOYSA-N Synonym: pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid PubChem CID: 19 ChEBI: CHEBI:18026 IUPAC Name: 2,3-dihydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)O)O)C(=O)O
| PubChem CID | 19 |
|---|---|
| CAS | 303-38-8 |
| Molecular Weight (g/mol) | 154.121 |
| ChEBI | CHEBI:18026 |
| MDL Number | MFCD00002446 |
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)O |
| Synonym | pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid |
| IUPAC Name | 2,3-dihydroxybenzoic acid |
| InChI Key | GLDQAMYCGOIJDV-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
n-Pentyl benzoate, 98+%
CAS: 2049-96-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00048843 InChI Key: QKNZNUNCDJZTCH-UHFFFAOYSA-N Synonym: amyl benzoate,n-pentyl benzoate,benzoic acid, pentyl ester,n-amyl benzoate,unii-cle7k4b29s,cle7k4b29s,amylbenzoat,amylbenzoate,n amyl benxoate,benzoic acid pentyl PubChem CID: 16296 IUPAC Name: pentyl benzoate SMILES: CCCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 16296 |
|---|---|
| CAS | 2049-96-9 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00048843 |
| SMILES | CCCCCOC(=O)C1=CC=CC=C1 |
| Synonym | amyl benzoate,n-pentyl benzoate,benzoic acid, pentyl ester,n-amyl benzoate,unii-cle7k4b29s,cle7k4b29s,amylbenzoat,amylbenzoate,n amyl benxoate,benzoic acid pentyl |
| IUPAC Name | pentyl benzoate |
| InChI Key | QKNZNUNCDJZTCH-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
3,5-Bis(trifluoromethyl)phenol, 97%
CAS: 349-58-6 Molecular Formula: C8H4F6O Molecular Weight (g/mol): 230.109 MDL Number: MFCD00000386 InChI Key: ODSXJQYJADZFJX-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenol,phenol, 3,5-bis trifluoromethyl,3,5-di trifluoromethyl phenol,3,5-bis-trifluoromethylphenol,3,5-ditrifluoromethylphenol,3,5-bis-trifluoromethyl phenol,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylenol,pubchem12483,mbt-oh,acmc-1clsr PubChem CID: 67680 IUPAC Name: 3,5-bis(trifluoromethyl)phenol SMILES: C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F
| PubChem CID | 67680 |
|---|---|
| CAS | 349-58-6 |
| Molecular Weight (g/mol) | 230.109 |
| MDL Number | MFCD00000386 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl phenol,phenol, 3,5-bis trifluoromethyl,3,5-di trifluoromethyl phenol,3,5-bis-trifluoromethylphenol,3,5-ditrifluoromethylphenol,3,5-bis-trifluoromethyl phenol,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylenol,pubchem12483,mbt-oh,acmc-1clsr |
| IUPAC Name | 3,5-bis(trifluoromethyl)phenol |
| InChI Key | ODSXJQYJADZFJX-UHFFFAOYSA-N |
| Molecular Formula | C8H4F6O |
2-Amino-4-chlorobenzoic acid, 98%
CAS: 89-77-0 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007778 InChI Key: JYYLQSCZISREGY-UHFFFAOYSA-N Synonym: 4-chloroanthranilic acid,benzoic acid, 2-amino-4-chloro,4-chloro-2-aminobenzoic acid,anthranilic acid, 4-chloro,4-chloroanthranil acid,4-chloro anthranilic acid,2-carboxy-5-chloroaniline,unii-g55k85r12h,2-amino-4-chloro-benzoic acid,2,4-acba PubChem CID: 66646 IUPAC Name: 2-amino-4-chlorobenzoic acid SMILES: NC1=CC(Cl)=CC=C1C(O)=O
| PubChem CID | 66646 |
|---|---|
| CAS | 89-77-0 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007778 |
| SMILES | NC1=CC(Cl)=CC=C1C(O)=O |
| Synonym | 4-chloroanthranilic acid,benzoic acid, 2-amino-4-chloro,4-chloro-2-aminobenzoic acid,anthranilic acid, 4-chloro,4-chloroanthranil acid,4-chloro anthranilic acid,2-carboxy-5-chloroaniline,unii-g55k85r12h,2-amino-4-chloro-benzoic acid,2,4-acba |
| IUPAC Name | 2-amino-4-chlorobenzoic acid |
| InChI Key | JYYLQSCZISREGY-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
4-Amino-3-hydroxybenzoic acid, 98%
CAS: 2374-03-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00017094 InChI Key: NFPYJDZQOKCYIE-UHFFFAOYSA-N Synonym: 3-hydroxy-4-aminobenzoic acid,4-amino-3-hydroxy benzoic acid,benzoic acid, 4-amino-3-hydroxy,chembl1462,2hdr,pubchem14418,2-amino-5-carboxyphenol,intermediates-zcf02635,acmc-209g5k,4-carboxy-2-hydroxyaniline PubChem CID: 137566 IUPAC Name: 4-amino-3-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)O)N
| PubChem CID | 137566 |
|---|---|
| CAS | 2374-03-0 |
| Molecular Weight (g/mol) | 153.137 |
| MDL Number | MFCD00017094 |
| SMILES | C1=CC(=C(C=C1C(=O)O)O)N |
| Synonym | 3-hydroxy-4-aminobenzoic acid,4-amino-3-hydroxy benzoic acid,benzoic acid, 4-amino-3-hydroxy,chembl1462,2hdr,pubchem14418,2-amino-5-carboxyphenol,intermediates-zcf02635,acmc-209g5k,4-carboxy-2-hydroxyaniline |
| IUPAC Name | 4-amino-3-hydroxybenzoic acid |
| InChI Key | NFPYJDZQOKCYIE-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
4-Bromo-2-fluoroaniline, 98+%
CAS: 367-24-8 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD00010221 InChI Key: GZRMNMGWNKSANY-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromoaniline,benzenamine, 4-bromo-2-fluoro,4-bromo-2-fluoro-phenylamine,4-bromo-2-fluoro-aniline,4-bromo-2-fluorobenzenamine,4-bromo-2-fluoro aniline,4-bromo-2-fluorophenylamine,4-brom-2-fluoranilin,zlchem 545,pubchem1525 PubChem CID: 123050 IUPAC Name: 4-bromo-2-fluoroaniline SMILES: C1=CC(=C(C=C1Br)F)N
| PubChem CID | 123050 |
|---|---|
| CAS | 367-24-8 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD00010221 |
| SMILES | C1=CC(=C(C=C1Br)F)N |
| Synonym | 2-fluoro-4-bromoaniline,benzenamine, 4-bromo-2-fluoro,4-bromo-2-fluoro-phenylamine,4-bromo-2-fluoro-aniline,4-bromo-2-fluorobenzenamine,4-bromo-2-fluoro aniline,4-bromo-2-fluorophenylamine,4-brom-2-fluoranilin,zlchem 545,pubchem1525 |
| IUPAC Name | 4-bromo-2-fluoroaniline |
| InChI Key | GZRMNMGWNKSANY-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
2,7-Dihydroxynaphthalene, 97%
CAS: 582-17-2 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00004085 InChI Key: DFQICHCWIIJABH-UHFFFAOYSA-N Synonym: 2,7-dihydroxynaphthalene,2,7-naphthalenediol,naphthalenediol-2,7,unii-0to8e448ud,naphthalenediol-2,7 french,2,7-dihydroxy naphthalene,2,7-naphthalene diol,naphthalene-2-7-diol,2,7-dihdroxynaphthalene PubChem CID: 11397 IUPAC Name: naphthalene-2,7-diol SMILES: OC1=CC2=CC(O)=CC=C2C=C1
| PubChem CID | 11397 |
|---|---|
| CAS | 582-17-2 |
| Molecular Weight (g/mol) | 160.17 |
| MDL Number | MFCD00004085 |
| SMILES | OC1=CC2=CC(O)=CC=C2C=C1 |
| Synonym | 2,7-dihydroxynaphthalene,2,7-naphthalenediol,naphthalenediol-2,7,unii-0to8e448ud,naphthalenediol-2,7 french,2,7-dihydroxy naphthalene,2,7-naphthalene diol,naphthalene-2-7-diol,2,7-dihdroxynaphthalene |
| IUPAC Name | naphthalene-2,7-diol |
| InChI Key | DFQICHCWIIJABH-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
4-Bromo-1,2-dichlorobenzene, 98+%
CAS: 18282-59-2 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.89 MDL Number: MFCD00040849 InChI Key: CFPZDVAZISWERM-UHFFFAOYSA-N Synonym: 1-bromo-3,4-dichlorobenzene,3,4-dichlorobromobenzene,benzene, 4-bromo-1,2-dichloro,3,4-dichlorophenyl bromide,3,4-dichloro-1-bromobenzene,4-bromo-1,2-dichloro-benzene,5-bromdichlorbenzol,pubchem3611,acmc-1btol,3,4-dichloro-bromobenzene PubChem CID: 29013 IUPAC Name: 4-bromo-1,2-dichlorobenzene SMILES: ClC1=CC=C(Br)C=C1Cl
| PubChem CID | 29013 |
|---|---|
| CAS | 18282-59-2 |
| Molecular Weight (g/mol) | 225.89 |
| MDL Number | MFCD00040849 |
| SMILES | ClC1=CC=C(Br)C=C1Cl |
| Synonym | 1-bromo-3,4-dichlorobenzene,3,4-dichlorobromobenzene,benzene, 4-bromo-1,2-dichloro,3,4-dichlorophenyl bromide,3,4-dichloro-1-bromobenzene,4-bromo-1,2-dichloro-benzene,5-bromdichlorbenzol,pubchem3611,acmc-1btol,3,4-dichloro-bromobenzene |
| IUPAC Name | 4-bromo-1,2-dichlorobenzene |
| InChI Key | CFPZDVAZISWERM-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2 |
4-Ethoxybenzyl alcohol, 98%
CAS: 6214-44-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00004655 InChI Key: UKFLLQIRBABMKF-UHFFFAOYSA-N Synonym: 4-ethoxybenzyl alcohol,4-ethoxyphenyl methanol,p-ethoxybenzyl alcohol,4-ethoxybenzylalcohol,benzenemethanol, 4-ethoxy,4-ethoxy-benzyl alcohol,benzenemethanol,4-ethoxy,4-ethoxyphenyl methanol #,4-ethoxyphenyl methan-1-ol,4-ethyloxy phenyl methanol PubChem CID: 80345 IUPAC Name: (4-ethoxyphenyl)methanol SMILES: CCOC1=CC=C(CO)C=C1
| PubChem CID | 80345 |
|---|---|
| CAS | 6214-44-4 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00004655 |
| SMILES | CCOC1=CC=C(CO)C=C1 |
| Synonym | 4-ethoxybenzyl alcohol,4-ethoxyphenyl methanol,p-ethoxybenzyl alcohol,4-ethoxybenzylalcohol,benzenemethanol, 4-ethoxy,4-ethoxy-benzyl alcohol,benzenemethanol,4-ethoxy,4-ethoxyphenyl methanol #,4-ethoxyphenyl methan-1-ol,4-ethyloxy phenyl methanol |
| IUPAC Name | (4-ethoxyphenyl)methanol |
| InChI Key | UKFLLQIRBABMKF-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
3-Chlorobenzylideneacetone, 98%
CAS: 20766-36-3 Molecular Formula: C10H9ClO Molecular Weight (g/mol): 180.631 MDL Number: MFCD00052851 InChI Key: VWEPXSRBBXPYSM-AATRIKPKSA-N Synonym: 3e-4-3-chlorophenyl but-3-en-2-one,e-4-3-chloro-phenyl-but-3-en-2-one,4-3-chlorophenyl but-3-en-2-one,e-4-3-chlorophenyl-but-3-en-2-one,3-chlorobenzylideneacetone,3-chloro-benzalacetone,3-chlorostyrylmethyl ketone,3-chlorobenzylidene acetone,chembl73680,e-4-3-chlorophenyl but-3-en-2-one PubChem CID: 5373975 IUPAC Name: (E)-4-(3-chlorophenyl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC(=CC=C1)Cl
| PubChem CID | 5373975 |
|---|---|
| CAS | 20766-36-3 |
| Molecular Weight (g/mol) | 180.631 |
| MDL Number | MFCD00052851 |
| SMILES | CC(=O)C=CC1=CC(=CC=C1)Cl |
| Synonym | 3e-4-3-chlorophenyl but-3-en-2-one,e-4-3-chloro-phenyl-but-3-en-2-one,4-3-chlorophenyl but-3-en-2-one,e-4-3-chlorophenyl-but-3-en-2-one,3-chlorobenzylideneacetone,3-chloro-benzalacetone,3-chlorostyrylmethyl ketone,3-chlorobenzylidene acetone,chembl73680,e-4-3-chlorophenyl but-3-en-2-one |
| IUPAC Name | (E)-4-(3-chlorophenyl)but-3-en-2-one |
| InChI Key | VWEPXSRBBXPYSM-AATRIKPKSA-N |
| Molecular Formula | C10H9ClO |
1,2-Difluorobenzene, 98+%
CAS: 367-11-3 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000284 InChI Key: GOYDNIKZWGIXJT-UHFFFAOYSA-N Synonym: o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene PubChem CID: 9706 ChEBI: CHEBI:38583 IUPAC Name: 1,2-difluorobenzene SMILES: FC1=CC=CC=C1F
| PubChem CID | 9706 |
|---|---|
| CAS | 367-11-3 |
| Molecular Weight (g/mol) | 114.10 |
| ChEBI | CHEBI:38583 |
| MDL Number | MFCD00000284 |
| SMILES | FC1=CC=CC=C1F |
| Synonym | o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene |
| IUPAC Name | 1,2-difluorobenzene |
| InChI Key | GOYDNIKZWGIXJT-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2 |
| CAS | 3724-10-5 |
|---|---|
| MDL Number | MFCD00029934 |
2,6-Difluorobenzonitrile, 98%
CAS: 1897-52-5 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.105 MDL Number: MFCD00001778 InChI Key: BNBRIFIJRKJGEI-UHFFFAOYSA-N Synonym: 2,6-difluorobenznitrile,benzonitrile, 2,6-difluoro,2,6-difluoro-benzonitrile,2,6-dfbn,unii-1j58z42a2e,2,6-difluoro benzonitrile,2,6-difluorobenzenecarbonitrile,2,6-difluorophenylcyanide,ncr bf ff,6-difluorobenzonitrile PubChem CID: 74695 IUPAC Name: 2,6-difluorobenzonitrile SMILES: C1=CC(=C(C(=C1)F)C#N)F
| PubChem CID | 74695 |
|---|---|
| CAS | 1897-52-5 |
| Molecular Weight (g/mol) | 139.105 |
| MDL Number | MFCD00001778 |
| SMILES | C1=CC(=C(C(=C1)F)C#N)F |
| Synonym | 2,6-difluorobenznitrile,benzonitrile, 2,6-difluoro,2,6-difluoro-benzonitrile,2,6-dfbn,unii-1j58z42a2e,2,6-difluoro benzonitrile,2,6-difluorobenzenecarbonitrile,2,6-difluorophenylcyanide,ncr bf ff,6-difluorobenzonitrile |
| IUPAC Name | 2,6-difluorobenzonitrile |
| InChI Key | BNBRIFIJRKJGEI-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2N |