Benzene and substituted derivatives
Filtered Search Results
4-Propoxybenzoic Acid 98.0+%, TCI America™
CAS: 5438-19-7 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00013989 InChI Key: GDFUWFOCYZZGQU-UHFFFAOYSA-N Synonym: p-propoxybenzoic acid,4-n-propoxybenzoic acid,benzoic acid, 4-propoxy,4-n-propyloxybenzoic acid,4-propoxy-benzoic acid,benzoic acid, p-propoxy,p-propyloxybenzoic acid,pubchem2681,4-propoxy benzoic acid,p-carboxyphenoxy propane PubChem CID: 138500 IUPAC Name: 4-propoxybenzoic acid SMILES: CCCOC1=CC=C(C=C1)C(O)=O
| PubChem CID | 138500 |
|---|---|
| CAS | 5438-19-7 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00013989 |
| SMILES | CCCOC1=CC=C(C=C1)C(O)=O |
| Synonym | p-propoxybenzoic acid,4-n-propoxybenzoic acid,benzoic acid, 4-propoxy,4-n-propyloxybenzoic acid,4-propoxy-benzoic acid,benzoic acid, p-propoxy,p-propyloxybenzoic acid,pubchem2681,4-propoxy benzoic acid,p-carboxyphenoxy propane |
| IUPAC Name | 4-propoxybenzoic acid |
| InChI Key | GDFUWFOCYZZGQU-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Methyl 2,4-Difluorobenzoate 98.0+%, TCI America™
CAS: 106614-28-2 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD03093799 InChI Key: YQUHULOBTDYMAG-UHFFFAOYSA-N Synonym: 2,4-difluoro-benzoic acid methyl ester,2,4-difluorobenzoic acid methyl ester,methyl-2,4-difluorobenzoate,methyl 2,4-difluoro benzoate,benzoic acid, 2,4-difluoro-, methyl ester,pubchem15678,acmc-1c4sx,methyl 2,4-diflourobenzoate,ksc494g3p,rarechem al bf 0213 PubChem CID: 2782897 IUPAC Name: methyl 2,4-difluorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)F)F
| PubChem CID | 2782897 |
|---|---|
| CAS | 106614-28-2 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD03093799 |
| SMILES | COC(=O)C1=C(C=C(C=C1)F)F |
| Synonym | 2,4-difluoro-benzoic acid methyl ester,2,4-difluorobenzoic acid methyl ester,methyl-2,4-difluorobenzoate,methyl 2,4-difluoro benzoate,benzoic acid, 2,4-difluoro-, methyl ester,pubchem15678,acmc-1c4sx,methyl 2,4-diflourobenzoate,ksc494g3p,rarechem al bf 0213 |
| IUPAC Name | methyl 2,4-difluorobenzoate |
| InChI Key | YQUHULOBTDYMAG-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
2-Benzoylbenzoic Acid 99.0+%, TCI America™
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 |
Phenylpyruvic Acid 93.0+%, TCI America™
CAS: 156-06-9 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002589 InChI Key: BTNMPGBKDVTSJY-UHFFFAOYSA-N Synonym: phenylpyruvic acid,3-phenylpyruvic acid,phenylpyruvate,keto-phenylpyruvate,beta-phenylpyruvic acid,b-phenylpyruvic acid,pyruvic acid, phenyl,3-phenyl-2-oxopropanoate,alpha-ketohydrocinnamic acid,benzenepropanoic acid, .alpha.-oxo PubChem CID: 997 ChEBI: CHEBI:30851 IUPAC Name: 2-oxo-3-phenylpropanoic acid SMILES: OC(=O)C(=O)CC1=CC=CC=C1
| PubChem CID | 997 |
|---|---|
| CAS | 156-06-9 |
| Molecular Weight (g/mol) | 164.16 |
| ChEBI | CHEBI:30851 |
| MDL Number | MFCD00002589 |
| SMILES | OC(=O)C(=O)CC1=CC=CC=C1 |
| Synonym | phenylpyruvic acid,3-phenylpyruvic acid,phenylpyruvate,keto-phenylpyruvate,beta-phenylpyruvic acid,b-phenylpyruvic acid,pyruvic acid, phenyl,3-phenyl-2-oxopropanoate,alpha-ketohydrocinnamic acid,benzenepropanoic acid, .alpha.-oxo |
| IUPAC Name | 2-oxo-3-phenylpropanoic acid |
| InChI Key | BTNMPGBKDVTSJY-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
5-Chloro-2-fluorobenzylamine 97.0+%, TCI America™
CAS: 261723-26-6 Molecular Formula: C7H7ClFN Molecular Weight (g/mol): 159.59 MDL Number: MFCD01631440 InChI Key: BFLBLJKULFDOTN-UHFFFAOYSA-N Synonym: 5-chloro-2-fluorobenzylamine,5-chloro-2-fluorophenyl methanamine,2-fluoro-5-chlorobenzylamine,2-fluoro-5-chlorobenzyl amine,1-5-chloro-2-fluorophenyl methanamine,5-chloro-2-fluoro-benzylamine,5-chloro-2-fluorophenyl methylamine,5-chloro-2-fluorobenzyl amine,pubchem4378 PubChem CID: 2773616 IUPAC Name: 1-(5-chloro-2-fluorophenyl)methanamine SMILES: NCC1=CC(Cl)=CC=C1F
| PubChem CID | 2773616 |
|---|---|
| CAS | 261723-26-6 |
| Molecular Weight (g/mol) | 159.59 |
| MDL Number | MFCD01631440 |
| SMILES | NCC1=CC(Cl)=CC=C1F |
| Synonym | 5-chloro-2-fluorobenzylamine,5-chloro-2-fluorophenyl methanamine,2-fluoro-5-chlorobenzylamine,2-fluoro-5-chlorobenzyl amine,1-5-chloro-2-fluorophenyl methanamine,5-chloro-2-fluoro-benzylamine,5-chloro-2-fluorophenyl methylamine,5-chloro-2-fluorobenzyl amine,pubchem4378 |
| IUPAC Name | 1-(5-chloro-2-fluorophenyl)methanamine |
| InChI Key | BFLBLJKULFDOTN-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClFN |
4,4'-Methylenebis(2-chloroaniline) 90.0+%, TCI America™
CAS: 101-14-4 Molecular Formula: C13H12Cl2N2 Molecular Weight (g/mol): 267.15 MDL Number: MFCD00047829 InChI Key: IBOFVQJTBBUKMU-UHFFFAOYSA-N Synonym: 4,4'-methylenebis 2-chloroaniline,moca,quodorole,cyanaset,bisamine,dacpm,mboca,curalin m,diamet kh,methylenebis chloroaniline PubChem CID: 7543 ChEBI: CHEBI:28124 IUPAC Name: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline SMILES: NC1=CC=C(CC2=CC=C(N)C(Cl)=C2)C=C1Cl
| PubChem CID | 7543 |
|---|---|
| CAS | 101-14-4 |
| Molecular Weight (g/mol) | 267.15 |
| ChEBI | CHEBI:28124 |
| MDL Number | MFCD00047829 |
| SMILES | NC1=CC=C(CC2=CC=C(N)C(Cl)=C2)C=C1Cl |
| Synonym | 4,4'-methylenebis 2-chloroaniline,moca,quodorole,cyanaset,bisamine,dacpm,mboca,curalin m,diamet kh,methylenebis chloroaniline |
| IUPAC Name | 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline |
| InChI Key | IBOFVQJTBBUKMU-UHFFFAOYSA-N |
| Molecular Formula | C13H12Cl2N2 |
3-Amino-2-methoxybenzoic Acid 98.0+%, TCI America™
CAS: 861306-04-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD09701221 InChI Key: ZBQFWVIYNLHFMO-UHFFFAOYSA-N Synonym: 3-Amino-o-anisic Acid PubChem CID: 19849158 IUPAC Name: 3-amino-2-methoxybenzoic acid SMILES: COC1=C(C=CC=C1N)C(=O)O
| PubChem CID | 19849158 |
|---|---|
| CAS | 861306-04-9 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD09701221 |
| SMILES | COC1=C(C=CC=C1N)C(=O)O |
| Synonym | 3-Amino-o-anisic Acid |
| IUPAC Name | 3-amino-2-methoxybenzoic acid |
| InChI Key | ZBQFWVIYNLHFMO-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Triphenylpropargylphosphonium Bromide 98.0+%, TCI America™
CAS: 2091-46-5 Molecular Formula: C21H18BrP Molecular Weight (g/mol): 381.25 MDL Number: MFCD00011811 InChI Key: AFZDAWIXETXKRE-UHFFFAOYSA-M Synonym: triphenylpropargylphosphonium bromide,propargyltriphenylphosphonium bromide,prop-2-ynyltriphenylphosphonium bromide,triphenyl prop-2-yn-1-yl phosphonium bromide,propargyl triphenylphosphonium bromide,acmc-1cbag,propargyltriphenylphosphoniumbromide,triphenylpropargylphosphoniumbromide,triphenylprop-2-ynylphosphine, bromide,triphenyl-2-propynylphosphonium bromide PubChem CID: 2724214 IUPAC Name: triphenyl(prop-2-yn-1-yl)phosphanium bromide SMILES: [Br-].C#CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724214 |
|---|---|
| CAS | 2091-46-5 |
| Molecular Weight (g/mol) | 381.25 |
| MDL Number | MFCD00011811 |
| SMILES | [Br-].C#CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylpropargylphosphonium bromide,propargyltriphenylphosphonium bromide,prop-2-ynyltriphenylphosphonium bromide,triphenyl prop-2-yn-1-yl phosphonium bromide,propargyl triphenylphosphonium bromide,acmc-1cbag,propargyltriphenylphosphoniumbromide,triphenylpropargylphosphoniumbromide,triphenylprop-2-ynylphosphine, bromide,triphenyl-2-propynylphosphonium bromide |
| IUPAC Name | triphenyl(prop-2-yn-1-yl)phosphanium bromide |
| InChI Key | AFZDAWIXETXKRE-UHFFFAOYSA-M |
| Molecular Formula | C21H18BrP |
2-tert-Butyltoluene 99.0+%, TCI America™
CAS: 1074-92-6 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00059209 InChI Key: AXHVNJGQOJFMHT-UHFFFAOYSA-N Synonym: 2-tert-butyltoluene,1-tert-butyl-2-methylbenzene,toluene, o-tert-butyl,benzene, 1-1,1-dimethylethyl-2-methyl,benzene, 1,1-dimethylethyl methyl,o-tert-butyltoluene,1-methyl-2-tert-butylbenzene,benzene,1-1,1-dimethylethyl-2-methyl,t-butyltoluene,o-t-butyltoluene PubChem CID: 33712 IUPAC Name: 1-tert-butyl-2-methylbenzene SMILES: CC1=CC=CC=C1C(C)(C)C
| PubChem CID | 33712 |
|---|---|
| CAS | 1074-92-6 |
| Molecular Weight (g/mol) | 148.249 |
| MDL Number | MFCD00059209 |
| SMILES | CC1=CC=CC=C1C(C)(C)C |
| Synonym | 2-tert-butyltoluene,1-tert-butyl-2-methylbenzene,toluene, o-tert-butyl,benzene, 1-1,1-dimethylethyl-2-methyl,benzene, 1,1-dimethylethyl methyl,o-tert-butyltoluene,1-methyl-2-tert-butylbenzene,benzene,1-1,1-dimethylethyl-2-methyl,t-butyltoluene,o-t-butyltoluene |
| IUPAC Name | 1-tert-butyl-2-methylbenzene |
| InChI Key | AXHVNJGQOJFMHT-UHFFFAOYSA-N |
| Molecular Formula | C11H16 |
5-Hydroxy-2-nitrobenzaldehyde 98.0+%, TCI America™
CAS: 42454-06-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007332 InChI Key: XLYPHUGUKGMURE-UHFFFAOYSA-N Synonym: 3-formyl-4-nitrophenol,6-nitro-3-hydroxybenzaldehyde,2-nitro-5-hydroxybenzaldehyde,5-hydroxy-2-nitro-benzaldehyde,benzaldehyde, 5-hydroxy-2-nitro,unii-va926z93if,6-nitro-3-hydroxy benzaldhyde,pubchem8205,acmc-1an3l,4-08-00-00250 beilstein handbook reference PubChem CID: 39211 IUPAC Name: 5-hydroxy-2-nitrobenzaldehyde SMILES: OC1=CC=C(C(C=O)=C1)[N+]([O-])=O
| PubChem CID | 39211 |
|---|---|
| CAS | 42454-06-8 |
| Molecular Weight (g/mol) | 167.12 |
| MDL Number | MFCD00007332 |
| SMILES | OC1=CC=C(C(C=O)=C1)[N+]([O-])=O |
| Synonym | 3-formyl-4-nitrophenol,6-nitro-3-hydroxybenzaldehyde,2-nitro-5-hydroxybenzaldehyde,5-hydroxy-2-nitro-benzaldehyde,benzaldehyde, 5-hydroxy-2-nitro,unii-va926z93if,6-nitro-3-hydroxy benzaldhyde,pubchem8205,acmc-1an3l,4-08-00-00250 beilstein handbook reference |
| IUPAC Name | 5-hydroxy-2-nitrobenzaldehyde |
| InChI Key | XLYPHUGUKGMURE-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
4-(2',6'-Dimethylphenoxy)phthalonitrile 99.0+%, TCI America™
CAS: 221302-75-6 Molecular Formula: C16H12N2O Molecular Weight (g/mol): 248.285 MDL Number: MFCD00059064 InChI Key: LJUVUOSWARAIBZ-UHFFFAOYSA-N PubChem CID: 952073 IUPAC Name: 4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile SMILES: CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N
| PubChem CID | 952073 |
|---|---|
| CAS | 221302-75-6 |
| Molecular Weight (g/mol) | 248.285 |
| MDL Number | MFCD00059064 |
| SMILES | CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N |
| IUPAC Name | 4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile |
| InChI Key | LJUVUOSWARAIBZ-UHFFFAOYSA-N |
| Molecular Formula | C16H12N2O |
1,4-Dimethoxy-2-nitrobenzene 99.0+%, TCI America™
CAS: 89-39-4 Molecular Formula: C8H9NO4 Molecular Weight (g/mol): 183.163 MDL Number: MFCD00024211 InChI Key: UPTOWXNJLZJTGD-UHFFFAOYSA-N Synonym: Nitrodimethylhydroquinone, 2-Nitrohydroquinone Dimethyl Ether PubChem CID: 66639 IUPAC Name: 1,4-dimethoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)OC)[N+](=O)[O-]
| PubChem CID | 66639 |
|---|---|
| CAS | 89-39-4 |
| Molecular Weight (g/mol) | 183.163 |
| MDL Number | MFCD00024211 |
| SMILES | COC1=CC(=C(C=C1)OC)[N+](=O)[O-] |
| Synonym | Nitrodimethylhydroquinone, 2-Nitrohydroquinone Dimethyl Ether |
| IUPAC Name | 1,4-dimethoxy-2-nitrobenzene |
| InChI Key | UPTOWXNJLZJTGD-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO4 |
2-Amino-4'-chlorodiphenyl Ether 98.0+%, TCI America™
CAS: 2770-11-8 Molecular Formula: C12H10ClNO Molecular Weight (g/mol): 219.67 MDL Number: MFCD00025168 InChI Key: QKKBREBZMUFUDS-UHFFFAOYSA-N Synonym: 2-(4-Chlorophenoxy)aniline PubChem CID: 76010 IUPAC Name: 2-(4-chlorophenoxy)aniline SMILES: C1=CC=C(C(=C1)N)OC2=CC=C(C=C2)Cl
| PubChem CID | 76010 |
|---|---|
| CAS | 2770-11-8 |
| Molecular Weight (g/mol) | 219.67 |
| MDL Number | MFCD00025168 |
| SMILES | C1=CC=C(C(=C1)N)OC2=CC=C(C=C2)Cl |
| Synonym | 2-(4-Chlorophenoxy)aniline |
| IUPAC Name | 2-(4-chlorophenoxy)aniline |
| InChI Key | QKKBREBZMUFUDS-UHFFFAOYSA-N |
| Molecular Formula | C12H10ClNO |
Methyl 3-Amino-2-methylbenzoate 98.0+%, TCI America™
CAS: 18583-89-6 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00211328 InChI Key: ZOOQFAUFPWXUMI-UHFFFAOYSA-N Synonym: 3-amino-2-methylbenzoic acid methyl ester,methyl3-amino-2-methylbenzoate,methyl-2-methyl-3-aminobenzoate,methyl 3-amino-2-methyl-benzoate,methyl2-methyl-3-aminobenzoate,3-amino-o-toluic acid methyl ester,benzoic acid, 3-amino-2-methyl-, methyl ester,pubchem4978,acmc-1c8sv,ksc495o4h PubChem CID: 3801025 IUPAC Name: methyl 3-amino-2-methylbenzoate SMILES: CC1=C(C=CC=C1N)C(=O)OC
| PubChem CID | 3801025 |
|---|---|
| CAS | 18583-89-6 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00211328 |
| SMILES | CC1=C(C=CC=C1N)C(=O)OC |
| Synonym | 3-amino-2-methylbenzoic acid methyl ester,methyl3-amino-2-methylbenzoate,methyl-2-methyl-3-aminobenzoate,methyl 3-amino-2-methyl-benzoate,methyl2-methyl-3-aminobenzoate,3-amino-o-toluic acid methyl ester,benzoic acid, 3-amino-2-methyl-, methyl ester,pubchem4978,acmc-1c8sv,ksc495o4h |
| IUPAC Name | methyl 3-amino-2-methylbenzoate |
| InChI Key | ZOOQFAUFPWXUMI-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
Benzyldodecyldimethylammonium Bromide 97.0+%, TCI America™
CAS: 7281-04-1 Molecular Formula: C21H38BrN Molecular Weight (g/mol): 384.45 MDL Number: MFCD00011768 InChI Key: KHSLHYAUZSPBIU-UHFFFAOYSA-M PubChem CID: 23705 IUPAC Name: benzyl-dodecyl-dimethylazanium;bromide SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
| PubChem CID | 23705 |
|---|---|
| CAS | 7281-04-1 |
| Molecular Weight (g/mol) | 384.45 |
| MDL Number | MFCD00011768 |
| SMILES | CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-] |
| IUPAC Name | benzyl-dodecyl-dimethylazanium;bromide |
| InChI Key | KHSLHYAUZSPBIU-UHFFFAOYSA-M |
| Molecular Formula | C21H38BrN |