Benzene and substituted derivatives
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(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine 98.0+%, TCI America™
CAS: 74927-72-3 Molecular Formula: C15H10N3O7 Molecular Weight (g/mol): 344.26 MDL Number: MFCD00010134,MFCD00010134,MFCD00064470 InChI Key: MIVUDAUOXJDARR-CYBMUJFWSA-M PubChem CID: 126504 IUPAC Name: (2R)-2-[(3,5-dinitrophenyl)formamido]-2-phenylacetate SMILES: [O-]C(=O)[C@H](NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=CC=C1
| PubChem CID | 126504 |
|---|---|
| CAS | 74927-72-3 |
| Molecular Weight (g/mol) | 344.26 |
| MDL Number | MFCD00010134,MFCD00010134,MFCD00064470 |
| SMILES | [O-]C(=O)[C@H](NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=CC=C1 |
| IUPAC Name | (2R)-2-[(3,5-dinitrophenyl)formamido]-2-phenylacetate |
| InChI Key | MIVUDAUOXJDARR-CYBMUJFWSA-M |
| Molecular Formula | C15H10N3O7 |
1,4-Dibromo-2,5-difluorobenzene 98.0+%, TCI America™
CAS: 327-51-5 Molecular Formula: C6H2Br2F2 Molecular Weight (g/mol): 271.887 MDL Number: MFCD00000346 InChI Key: GLVMLJCMUBZVTJ-UHFFFAOYSA-N Synonym: 1,4-dibromo-2,5-difluoro-benzene,benzene, 1,4-dibromo-2,5-difluoro,2,5-difluoro-1,4-dibromo benzene,maybridge1_003946,pubchem3441,acmc-1cmi9,chemwish ic06783,ksc495q1l,emolecules 493137,2,5-dibromo-1,4-difluorobenzene PubChem CID: 67596 IUPAC Name: 1,4-dibromo-2,5-difluorobenzene SMILES: C1=C(C(=CC(=C1Br)F)Br)F
| PubChem CID | 67596 |
|---|---|
| CAS | 327-51-5 |
| Molecular Weight (g/mol) | 271.887 |
| MDL Number | MFCD00000346 |
| SMILES | C1=C(C(=CC(=C1Br)F)Br)F |
| Synonym | 1,4-dibromo-2,5-difluoro-benzene,benzene, 1,4-dibromo-2,5-difluoro,2,5-difluoro-1,4-dibromo benzene,maybridge1_003946,pubchem3441,acmc-1cmi9,chemwish ic06783,ksc495q1l,emolecules 493137,2,5-dibromo-1,4-difluorobenzene |
| IUPAC Name | 1,4-dibromo-2,5-difluorobenzene |
| InChI Key | GLVMLJCMUBZVTJ-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2F2 |
2,4-Difluorobenzoyl Chloride 98.0+%, TCI America™
CAS: 72482-64-5 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.55 MDL Number: MFCD00000658 InChI Key: JSWRVDNTKPAJLB-UHFFFAOYSA-N Synonym: 2,4-difluorobenzoylchloride,benzoyl chloride, 2,4-difluoro,benzoyl chloride,2,4-difluoro,acmc-1bfet,2,4difluorobenzoylchloride,2,4-difluorobezoyl chloride,2,4 difluorobenzoyl chloride,2,4-difluoro benzoylchloride,2,4-difluoro-benzoylchloride,2,4-difluoro-benzoyl chloride PubChem CID: 588081 IUPAC Name: 2,4-difluorobenzoyl chloride SMILES: FC1=CC=C(C(Cl)=O)C(F)=C1
| PubChem CID | 588081 |
|---|---|
| CAS | 72482-64-5 |
| Molecular Weight (g/mol) | 176.55 |
| MDL Number | MFCD00000658 |
| SMILES | FC1=CC=C(C(Cl)=O)C(F)=C1 |
| Synonym | 2,4-difluorobenzoylchloride,benzoyl chloride, 2,4-difluoro,benzoyl chloride,2,4-difluoro,acmc-1bfet,2,4difluorobenzoylchloride,2,4-difluorobezoyl chloride,2,4 difluorobenzoyl chloride,2,4-difluoro benzoylchloride,2,4-difluoro-benzoylchloride,2,4-difluoro-benzoyl chloride |
| IUPAC Name | 2,4-difluorobenzoyl chloride |
| InChI Key | JSWRVDNTKPAJLB-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF2O |
3,4-Dimethoxybenzyl Cyanide 98.0+%, TCI America™
CAS: 93-17-4 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD00001911 InChI Key: ASLSUMISAQDOOB-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetonitrile,3,4-dimethoxyphenyl acetonitrile,homoveratronitrile,3,4-dimethoxybenzyl cyanide,veratryl cyanide,2-3,4-dimethoxyphenyl acetonitrile,3,4-dimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4-dimethoxy,unii-62c8s706sp,3,4-dimethoxy phenylacetonitrile PubChem CID: 66727 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetonitrile SMILES: COC1=C(C=C(C=C1)CC#N)OC
| PubChem CID | 66727 |
|---|---|
| CAS | 93-17-4 |
| Molecular Weight (g/mol) | 177.203 |
| MDL Number | MFCD00001911 |
| SMILES | COC1=C(C=C(C=C1)CC#N)OC |
| Synonym | 3,4-dimethoxyphenylacetonitrile,3,4-dimethoxyphenyl acetonitrile,homoveratronitrile,3,4-dimethoxybenzyl cyanide,veratryl cyanide,2-3,4-dimethoxyphenyl acetonitrile,3,4-dimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4-dimethoxy,unii-62c8s706sp,3,4-dimethoxy phenylacetonitrile |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)acetonitrile |
| InChI Key | ASLSUMISAQDOOB-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO2 |
3,4-Dimethoxytoluene 99.0+%, TCI America™
CAS: 494-99-5 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00016651 InChI Key: GYPMBQZAVBFUIZ-UHFFFAOYSA-N Synonym: 3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol PubChem CID: 68126 IUPAC Name: 1,2-dimethoxy-4-methylbenzene SMILES: CC1=CC(=C(C=C1)OC)OC
| PubChem CID | 68126 |
|---|---|
| CAS | 494-99-5 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00016651 |
| SMILES | CC1=CC(=C(C=C1)OC)OC |
| Synonym | 3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol |
| IUPAC Name | 1,2-dimethoxy-4-methylbenzene |
| InChI Key | GYPMBQZAVBFUIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
Tris(triphenylphosphine)ruthenium(II) Dichloride 90.0+%, TCI America™
CAS: 15529-49-4 Molecular Formula: C54H45Cl2P3Ru Molecular Weight (g/mol): 958.85 MDL Number: MFCD00013077 InChI Key: KSHWMFNJCNGTJO-UHFFFAOYSA-L Synonym: dichlorotris triphenylphosphine ruthenium ii,tris triphenylphosphine ruthenium ii chloride,dichlorotris triphenylphosphino ruthenium ii,tris triphenylphosphine ruthenium ii dichloride,dichlorotris triphenylphosphine ruthenium,ruthenium ii-tris triphenylphosphine dichloride,tris triphenylphosphine dichlororuthenium,ruthenium dichlorotris triphenylphosphine,pubchem12822 PubChem CID: 11007548 IUPAC Name: λ¹-ruthenium(1+) tris(triphenylphosphane) dichloride SMILES: [Cl-].[Cl-].[Ru+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11007548 |
|---|---|
| CAS | 15529-49-4 |
| Molecular Weight (g/mol) | 958.85 |
| MDL Number | MFCD00013077 |
| SMILES | [Cl-].[Cl-].[Ru+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | dichlorotris triphenylphosphine ruthenium ii,tris triphenylphosphine ruthenium ii chloride,dichlorotris triphenylphosphino ruthenium ii,tris triphenylphosphine ruthenium ii dichloride,dichlorotris triphenylphosphine ruthenium,ruthenium ii-tris triphenylphosphine dichloride,tris triphenylphosphine dichlororuthenium,ruthenium dichlorotris triphenylphosphine,pubchem12822 |
| IUPAC Name | λ¹-ruthenium(1+) tris(triphenylphosphane) dichloride |
| InChI Key | KSHWMFNJCNGTJO-UHFFFAOYSA-L |
| Molecular Formula | C54H45Cl2P3Ru |
2,5-Dibromoaniline 98.0+%, TCI America™
CAS: 3638-73-1 Molecular Formula: C6H5Br2N Molecular Weight (g/mol): 250.921 MDL Number: MFCD00007636 InChI Key: WRTAZRGRFBCKBU-UHFFFAOYSA-N Synonym: 2,5-dibromobenzenamine,benzenamine, 2,5-dibromo,2,5-dibromophenylamine,rarechem fh 1w 0043,pubchem3452,2,5-dibromo-phenylamine,aniline, 2,5-dibromo,2,5-bis bromanyl aniline,acmc-209im6,2,5-dibromoaniline PubChem CID: 77198 IUPAC Name: 2,5-dibromoaniline SMILES: C1=CC(=C(C=C1Br)N)Br
| PubChem CID | 77198 |
|---|---|
| CAS | 3638-73-1 |
| Molecular Weight (g/mol) | 250.921 |
| MDL Number | MFCD00007636 |
| SMILES | C1=CC(=C(C=C1Br)N)Br |
| Synonym | 2,5-dibromobenzenamine,benzenamine, 2,5-dibromo,2,5-dibromophenylamine,rarechem fh 1w 0043,pubchem3452,2,5-dibromo-phenylamine,aniline, 2,5-dibromo,2,5-bis bromanyl aniline,acmc-209im6,2,5-dibromoaniline |
| IUPAC Name | 2,5-dibromoaniline |
| InChI Key | WRTAZRGRFBCKBU-UHFFFAOYSA-N |
| Molecular Formula | C6H5Br2N |
2,4-Difluorobenzylamine 98.0+%, TCI America™
CAS: 72235-52-0 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.137 MDL Number: MFCD00010142 InChI Key: QDZZDVQGBKTLHV-UHFFFAOYSA-N Synonym: 2,4-difluorobenzylamine,2,4-difluorophenyl methanamine,2,4-difluorobenzyl amine,benzenemethanamine, 2,4-difluoro,1-2,4-difluorophenyl methanamine,2,4-difluorophenyl methylamine,n-difluorobenzylamine,pubchem4399,2,4-difluorbenzylamine,acmc-209oma PubChem CID: 2733244 IUPAC Name: (2,4-difluorophenyl)methanamine SMILES: C1=CC(=C(C=C1F)F)CN
| PubChem CID | 2733244 |
|---|---|
| CAS | 72235-52-0 |
| Molecular Weight (g/mol) | 143.137 |
| MDL Number | MFCD00010142 |
| SMILES | C1=CC(=C(C=C1F)F)CN |
| Synonym | 2,4-difluorobenzylamine,2,4-difluorophenyl methanamine,2,4-difluorobenzyl amine,benzenemethanamine, 2,4-difluoro,1-2,4-difluorophenyl methanamine,2,4-difluorophenyl methylamine,n-difluorobenzylamine,pubchem4399,2,4-difluorbenzylamine,acmc-209oma |
| IUPAC Name | (2,4-difluorophenyl)methanamine |
| InChI Key | QDZZDVQGBKTLHV-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2N |
4-Methyl-3-nitrobenzenesulfonyl Chloride 98.0+%, TCI America™
CAS: 616-83-1 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.638 MDL Number: MFCD00129811 InChI Key: OQFYBGANSUNUAO-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride PubChem CID: 560638 IUPAC Name: 4-methyl-3-nitrobenzenesulfonyl chloride SMILES: CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]
| PubChem CID | 560638 |
|---|---|
| CAS | 616-83-1 |
| Molecular Weight (g/mol) | 235.638 |
| MDL Number | MFCD00129811 |
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
| Synonym | 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride |
| IUPAC Name | 4-methyl-3-nitrobenzenesulfonyl chloride |
| InChI Key | OQFYBGANSUNUAO-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO4S |
trans-4-(2-Nitroethenyl)benzonitrile 98.0+%, TCI America™
CAS: 5153-73-1 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00176174 InChI Key: CVWPMONBGNBYCJ-AATRIKPKSA-N Synonym: trans-4-(2-Nitrovinyl)benzonitrile PubChem CID: 819894 IUPAC Name: 4-[(E)-2-nitroethenyl]benzonitrile SMILES: C1=CC(=CC=C1C=C[N+](=O)[O-])C#N
| PubChem CID | 819894 |
|---|---|
| CAS | 5153-73-1 |
| Molecular Weight (g/mol) | 174.159 |
| MDL Number | MFCD00176174 |
| SMILES | C1=CC(=CC=C1C=C[N+](=O)[O-])C#N |
| Synonym | trans-4-(2-Nitrovinyl)benzonitrile |
| IUPAC Name | 4-[(E)-2-nitroethenyl]benzonitrile |
| InChI Key | CVWPMONBGNBYCJ-AATRIKPKSA-N |
| Molecular Formula | C9H6N2O2 |
2-Nitrobenzenesulfonamide 98.0+%, TCI America™
CAS: 5455-59-4 Molecular Formula: C6H6N2O4S Molecular Weight (g/mol): 202.18 MDL Number: MFCD00009807 InChI Key: GNDKYAWHEKZHPJ-UHFFFAOYSA-N Synonym: 2-nitrobenzene-1-sulfonamide,2-nitrobenzenesulphonamide,2-nitro-benzenesulfonamide,nitrobenzenesulfonamide,2-nitrophenylsulfonamide,2-sulphamoylnitrobenzene,acmc-209lhg,2-nitrobenzene-sulfonamide,2-nitro benzene sulphonamide,ksc490i0n PubChem CID: 138510 IUPAC Name: 2-nitrobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 138510 |
|---|---|
| CAS | 5455-59-4 |
| Molecular Weight (g/mol) | 202.18 |
| MDL Number | MFCD00009807 |
| SMILES | NS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-nitrobenzene-1-sulfonamide,2-nitrobenzenesulphonamide,2-nitro-benzenesulfonamide,nitrobenzenesulfonamide,2-nitrophenylsulfonamide,2-sulphamoylnitrobenzene,acmc-209lhg,2-nitrobenzene-sulfonamide,2-nitro benzene sulphonamide,ksc490i0n |
| IUPAC Name | 2-nitrobenzene-1-sulfonamide |
| InChI Key | GNDKYAWHEKZHPJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O4S |
Benzaldehyde Phenylhydrazone 98.0+%, TCI America™
CAS: 588-64-7 Molecular Formula: C13H12N2 Molecular Weight (g/mol): 196.253 MDL Number: MFCD00051318 InChI Key: JGOAZQAXRONCCI-SDNWHVSQSA-N PubChem CID: 6436752 IUPAC Name: N-[(E)-benzylideneamino]aniline SMILES: C1=CC=C(C=C1)C=NNC2=CC=CC=C2
| PubChem CID | 6436752 |
|---|---|
| CAS | 588-64-7 |
| Molecular Weight (g/mol) | 196.253 |
| MDL Number | MFCD00051318 |
| SMILES | C1=CC=C(C=C1)C=NNC2=CC=CC=C2 |
| IUPAC Name | N-[(E)-benzylideneamino]aniline |
| InChI Key | JGOAZQAXRONCCI-SDNWHVSQSA-N |
| Molecular Formula | C13H12N2 |
4,4'-Dihydroxydiphenyl Ether 98.0+%, TCI America™
CAS: 1965-09-9 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00016463 InChI Key: NZGQHKSLKRFZFL-UHFFFAOYSA-N Synonym: 4,4'-oxydiphenol,4,4'-dihydroxydiphenyl ether,phenol, 4,4'-oxybis,4-4-hydroxyphenoxy phenol,p,p'-oxydiphenol,phenol, 4,4'-oxydi,p,p'-oxybisphenol,4,4'-oxybisphenol,bis 4-hydroxyphenyl ether,unii-7l83kgh26s PubChem CID: 16069 IUPAC Name: 4-(4-hydroxyphenoxy)phenol SMILES: C1=CC(=CC=C1O)OC2=CC=C(C=C2)O
| PubChem CID | 16069 |
|---|---|
| CAS | 1965-09-9 |
| Molecular Weight (g/mol) | 202.21 |
| MDL Number | MFCD00016463 |
| SMILES | C1=CC(=CC=C1O)OC2=CC=C(C=C2)O |
| Synonym | 4,4'-oxydiphenol,4,4'-dihydroxydiphenyl ether,phenol, 4,4'-oxybis,4-4-hydroxyphenoxy phenol,p,p'-oxydiphenol,phenol, 4,4'-oxydi,p,p'-oxybisphenol,4,4'-oxybisphenol,bis 4-hydroxyphenyl ether,unii-7l83kgh26s |
| IUPAC Name | 4-(4-hydroxyphenoxy)phenol |
| InChI Key | NZGQHKSLKRFZFL-UHFFFAOYSA-N |
| Molecular Formula | C12H10O3 |
Benzyl Butyl Ether 95.0+%, TCI America™
CAS: 588-67-0 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.25 MDL Number: MFCD00039954 InChI Key: MAYUYFCAPVDYBQ-UHFFFAOYSA-N Synonym: benzyl butyl ether,ether, benzyl butyl,butyl benzyl ether,benzyl n-butyl ether,benzene, butoxymethyl,butoxymethyl benzene,n-butyl benzyl ether,unii-8483x8zo8n,ether, benzyl n-butyl,butoxyphenylmethane PubChem CID: 61134 IUPAC Name: (butoxymethyl)benzene SMILES: CCCCOCC1=CC=CC=C1
| PubChem CID | 61134 |
|---|---|
| CAS | 588-67-0 |
| Molecular Weight (g/mol) | 164.25 |
| MDL Number | MFCD00039954 |
| SMILES | CCCCOCC1=CC=CC=C1 |
| Synonym | benzyl butyl ether,ether, benzyl butyl,butyl benzyl ether,benzyl n-butyl ether,benzene, butoxymethyl,butoxymethyl benzene,n-butyl benzyl ether,unii-8483x8zo8n,ether, benzyl n-butyl,butoxyphenylmethane |
| IUPAC Name | (butoxymethyl)benzene |
| InChI Key | MAYUYFCAPVDYBQ-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |
2-Chloroethyl Benzoate 99.0+%, TCI America™
CAS: 939-55-9 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00045290 InChI Key: ANPPGQUFDXLAGY-UHFFFAOYSA-N Synonym: Benzoic Acid 2-Chloroethyl Ester PubChem CID: 95952 IUPAC Name: 2-chloroethyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCCCl
| PubChem CID | 95952 |
|---|---|
| CAS | 939-55-9 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD00045290 |
| SMILES | C1=CC=C(C=C1)C(=O)OCCCl |
| Synonym | Benzoic Acid 2-Chloroethyl Ester |
| IUPAC Name | 2-chloroethyl benzoate |
| InChI Key | ANPPGQUFDXLAGY-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |