Benzene and substituted derivatives
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(Triphenylphosphoranylidene)ketene, TCI America™
CAS: 15596-07-3 Molecular Formula: C20H15OP Molecular Weight (g/mol): 302.313 MDL Number: MFCD00040613 InChI Key: MNASRBWCHRURHY-UHFFFAOYSA-N Synonym: Ketenylidene(triphenyl)phosphorane, Bestmann Ylide PubChem CID: 359581 IUPAC Name: 2-(triphenyl-$l^{5}-phosphanylidene)ethenone SMILES: C1=CC=C(C=C1)P(=C=C=O)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 359581 |
|---|---|
| CAS | 15596-07-3 |
| Molecular Weight (g/mol) | 302.313 |
| MDL Number | MFCD00040613 |
| SMILES | C1=CC=C(C=C1)P(=C=C=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | Ketenylidene(triphenyl)phosphorane, Bestmann Ylide |
| IUPAC Name | 2-(triphenyl-$l^{5}-phosphanylidene)ethenone |
| InChI Key | MNASRBWCHRURHY-UHFFFAOYSA-N |
| Molecular Formula | C20H15OP |
N,N'-Diacetyl-1,4-phenylenediamine 98.0+%, TCI America™
CAS: 140-50-1 Molecular Formula: C10H12N2O2 Molecular Weight (g/mol): 192.218 MDL Number: MFCD00026142 InChI Key: KVEDKKLZCJBVNP-UHFFFAOYSA-N Synonym: 1,4-diacetamidobenzene,n,n'-diacetyl-1,4-phenylenediamine,n,n'-p-phenylenebisacetamide,p-phenylenediacetamide,n,n'-diacetyl-p-phenylenediamine,4'-acetamidoacetanilide,1,4-bisacetamidobenzene,acetamide, n,n'-1,4-phenylenebis,n-4-acetamidophenyl acetamide,n,n'-p-phenylene di acetamide PubChem CID: 67324 IUPAC Name: N-(4-acetamidophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)C
| PubChem CID | 67324 |
|---|---|
| CAS | 140-50-1 |
| Molecular Weight (g/mol) | 192.218 |
| MDL Number | MFCD00026142 |
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)C |
| Synonym | 1,4-diacetamidobenzene,n,n'-diacetyl-1,4-phenylenediamine,n,n'-p-phenylenebisacetamide,p-phenylenediacetamide,n,n'-diacetyl-p-phenylenediamine,4'-acetamidoacetanilide,1,4-bisacetamidobenzene,acetamide, n,n'-1,4-phenylenebis,n-4-acetamidophenyl acetamide,n,n'-p-phenylene di acetamide |
| IUPAC Name | N-(4-acetamidophenyl)acetamide |
| InChI Key | KVEDKKLZCJBVNP-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O2 |
3-Fluorotoluene 99.0+%, TCI America™
CAS: 352-70-5 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.13 MDL Number: MFCD00000339 InChI Key: BTQZKHUEUDPRST-UHFFFAOYSA-N Synonym: 3-fluorotoluene,m-fluorotoluene,benzene, 1-fluoro-3-methyl,1-fluoro-3-methyl-benzene,1-methyl-3-fluorobenzene,toluene, m-fluoro,unii-f72w445dq0,3-fluorobenzyl radical,meta-fluorotoluene,acmc-209ifn PubChem CID: 9606 IUPAC Name: 1-fluoro-3-methylbenzene SMILES: CC1=CC=CC(F)=C1
| PubChem CID | 9606 |
|---|---|
| CAS | 352-70-5 |
| Molecular Weight (g/mol) | 110.13 |
| MDL Number | MFCD00000339 |
| SMILES | CC1=CC=CC(F)=C1 |
| Synonym | 3-fluorotoluene,m-fluorotoluene,benzene, 1-fluoro-3-methyl,1-fluoro-3-methyl-benzene,1-methyl-3-fluorobenzene,toluene, m-fluoro,unii-f72w445dq0,3-fluorobenzyl radical,meta-fluorotoluene,acmc-209ifn |
| IUPAC Name | 1-fluoro-3-methylbenzene |
| InChI Key | BTQZKHUEUDPRST-UHFFFAOYSA-N |
| Molecular Formula | C7H7F |
4,4'-Diaminobenzophenone 98.0+%, TCI America™
CAS: 611-98-3 Molecular Formula: C13H12N2O Molecular Weight (g/mol): 212.252 MDL Number: MFCD00038138 InChI Key: ZLSMCQSGRWNEGX-UHFFFAOYSA-N PubChem CID: 69149 IUPAC Name: bis(4-aminophenyl)methanone SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)N)N
| PubChem CID | 69149 |
|---|---|
| CAS | 611-98-3 |
| Molecular Weight (g/mol) | 212.252 |
| MDL Number | MFCD00038138 |
| SMILES | C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)N)N |
| IUPAC Name | bis(4-aminophenyl)methanone |
| InChI Key | ZLSMCQSGRWNEGX-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O |
2-Aminoterephthalic Acid 98.0+%, TCI America™
CAS: 10312-55-7 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-L Synonym: aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 PubChem CID: 2724822 IUPAC Name: 2-aminobenzene-1,4-dicarboxylate SMILES: NC1=CC(=CC=C1C([O-])=O)C([O-])=O
| PubChem CID | 2724822 |
|---|---|
| CAS | 10312-55-7 |
| Molecular Weight (g/mol) | 179.13 |
| MDL Number | MFCD00134536 |
| SMILES | NC1=CC(=CC=C1C([O-])=O)C([O-])=O |
| Synonym | aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 |
| IUPAC Name | 2-aminobenzene-1,4-dicarboxylate |
| InChI Key | GPNNOCMCNFXRAO-UHFFFAOYSA-L |
| Molecular Formula | C8H5NO4 |
Methyl 4-Bromo-2-(bromomethyl)benzoate 97.0+%, TCI America™
CAS: 78471-43-9 Molecular Formula: C9H8Br2O2 Molecular Weight (g/mol): 307.969 MDL Number: MFCD04114319 InChI Key: SGFACFBLUAWICV-UHFFFAOYSA-N Synonym: methyl 4-bromo-2-bromomethyl benzoate,methyl 4-bromo-2-bromomethyl-benzoate,4-bromo-2-bromomethylbenzoic acid methyl ester,4-bromo-2-bromomethyl-benzoic acid methyl ester,benzoic acid, 4-bromo-2-bromomethyl-, methyl ester,4-bromo-2-bromomethyl benzoic acid methyl ester,acmc-209pec,methyl alpha,5-dibromo-o-toluate,methyl 4bromo-2-bromomethylbenzoate,methyl4-bromo-2-bromomethylbenzoate PubChem CID: 22031079 IUPAC Name: methyl 4-bromo-2-(bromomethyl)benzoate SMILES: COC(=O)C1=C(C=C(C=C1)Br)CBr
| PubChem CID | 22031079 |
|---|---|
| CAS | 78471-43-9 |
| Molecular Weight (g/mol) | 307.969 |
| MDL Number | MFCD04114319 |
| SMILES | COC(=O)C1=C(C=C(C=C1)Br)CBr |
| Synonym | methyl 4-bromo-2-bromomethyl benzoate,methyl 4-bromo-2-bromomethyl-benzoate,4-bromo-2-bromomethylbenzoic acid methyl ester,4-bromo-2-bromomethyl-benzoic acid methyl ester,benzoic acid, 4-bromo-2-bromomethyl-, methyl ester,4-bromo-2-bromomethyl benzoic acid methyl ester,acmc-209pec,methyl alpha,5-dibromo-o-toluate,methyl 4bromo-2-bromomethylbenzoate,methyl4-bromo-2-bromomethylbenzoate |
| IUPAC Name | methyl 4-bromo-2-(bromomethyl)benzoate |
| InChI Key | SGFACFBLUAWICV-UHFFFAOYSA-N |
| Molecular Formula | C9H8Br2O2 |
4-Allylanisole 98.0+%, TCI America™
CAS: 140-67-0 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00008653 InChI Key: ZFMSMUAANRJZFM-UHFFFAOYSA-N Synonym: estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon PubChem CID: 8815 ChEBI: CHEBI:4867 IUPAC Name: 1-methoxy-4-prop-2-enylbenzene SMILES: COC1=CC=C(C=C1)CC=C
| PubChem CID | 8815 |
|---|---|
| CAS | 140-67-0 |
| Molecular Weight (g/mol) | 148.205 |
| ChEBI | CHEBI:4867 |
| MDL Number | MFCD00008653 |
| SMILES | COC1=CC=C(C=C1)CC=C |
| Synonym | estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon |
| IUPAC Name | 1-methoxy-4-prop-2-enylbenzene |
| InChI Key | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
1,2-Bis(2,3,4,5,6-pentabromophenyl)ethane 96.0+%, TCI America™
CAS: 84852-53-9 Molecular Formula: C14H4Br10 Molecular Weight (g/mol): 971.23 MDL Number: MFCD06407713 InChI Key: BZQKBFHEWDPQHD-UHFFFAOYSA-N PubChem CID: 10985889 IUPAC Name: 1,2,3,4,5-pentabromo-6-[2-(2,3,4,5,6-pentabromophenyl)ethyl]benzene SMILES: BrC1=C(Br)C(Br)=C(CCC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1Br
| PubChem CID | 10985889 |
|---|---|
| CAS | 84852-53-9 |
| Molecular Weight (g/mol) | 971.23 |
| MDL Number | MFCD06407713 |
| SMILES | BrC1=C(Br)C(Br)=C(CCC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1Br |
| IUPAC Name | 1,2,3,4,5-pentabromo-6-[2-(2,3,4,5,6-pentabromophenyl)ethyl]benzene |
| InChI Key | BZQKBFHEWDPQHD-UHFFFAOYSA-N |
| Molecular Formula | C14H4Br10 |
4-Bromo-2-fluorobiphenyl 99.0+%, TCI America™
CAS: 41604-19-7 Molecular Formula: C12H8BrF Molecular Weight (g/mol): 251.10 MDL Number: MFCD00051716 InChI Key: HTRNHWBOBYFTQF-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobiphenyl,4-bromo-2-fluoro-1,1'-biphenyl,2-fluoro-4-bromo biphenyl,1,1'-biphenyl, 4-bromo-2-fluoro,4-bromo-2-fluorodiphenyl,4-bromo-2-fluoro-1,1-biphenyl,4-bromo-2-fluoro biphenyl,pubchem2652,acmc-209jkv,2-fluoro-4-bromobiphenyl PubChem CID: 521063 IUPAC Name: 4-bromo-2-fluoro-1,1'-biphenyl SMILES: FC1=CC(Br)=CC=C1C1=CC=CC=C1
| PubChem CID | 521063 |
|---|---|
| CAS | 41604-19-7 |
| Molecular Weight (g/mol) | 251.10 |
| MDL Number | MFCD00051716 |
| SMILES | FC1=CC(Br)=CC=C1C1=CC=CC=C1 |
| Synonym | 4-bromo-2-fluorobiphenyl,4-bromo-2-fluoro-1,1'-biphenyl,2-fluoro-4-bromo biphenyl,1,1'-biphenyl, 4-bromo-2-fluoro,4-bromo-2-fluorodiphenyl,4-bromo-2-fluoro-1,1-biphenyl,4-bromo-2-fluoro biphenyl,pubchem2652,acmc-209jkv,2-fluoro-4-bromobiphenyl |
| IUPAC Name | 4-bromo-2-fluoro-1,1'-biphenyl |
| InChI Key | HTRNHWBOBYFTQF-UHFFFAOYSA-N |
| Molecular Formula | C12H8BrF |
4-Methoxy-2-methyldiphenylamine 97.0+%, TCI America™
CAS: 41317-15-1 Molecular Formula: C14H15NO Molecular Weight (g/mol): 213.28 MDL Number: MFCD00272619 InChI Key: CYMPUOGZUXAIMY-UHFFFAOYSA-N PubChem CID: 162461 IUPAC Name: 4-methoxy-2-methyl-N-phenylaniline SMILES: CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2
| PubChem CID | 162461 |
|---|---|
| CAS | 41317-15-1 |
| Molecular Weight (g/mol) | 213.28 |
| MDL Number | MFCD00272619 |
| SMILES | CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2 |
| IUPAC Name | 4-methoxy-2-methyl-N-phenylaniline |
| InChI Key | CYMPUOGZUXAIMY-UHFFFAOYSA-N |
| Molecular Formula | C14H15NO |
N-(2,4-Dinitrophenyl)-6-aminohexanoic Acid 95.0+%, TCI America™
CAS: 10466-72-5 Molecular Formula: C12H15N3O6 Molecular Weight (g/mol): 297.27 MDL Number: MFCD00038470 InChI Key: ZYUWUKIAUDIXCQ-UHFFFAOYSA-N Synonym: N-Dnp-6-aminohexanoic Acid PubChem CID: 96812 ChEBI: CHEBI:53698 IUPAC Name: 6-[(2,4-dinitrophenyl)amino]hexanoic acid SMILES: OC(=O)CCCCCNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 96812 |
|---|---|
| CAS | 10466-72-5 |
| Molecular Weight (g/mol) | 297.27 |
| ChEBI | CHEBI:53698 |
| MDL Number | MFCD00038470 |
| SMILES | OC(=O)CCCCCNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| Synonym | N-Dnp-6-aminohexanoic Acid |
| IUPAC Name | 6-[(2,4-dinitrophenyl)amino]hexanoic acid |
| InChI Key | ZYUWUKIAUDIXCQ-UHFFFAOYSA-N |
| Molecular Formula | C12H15N3O6 |
4-Bromo-3-fluorobenzonitrile 98.0+%, TCI America™
CAS: 133059-44-6 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD07782069 InChI Key: QBKXYSXQKRNVRQ-UHFFFAOYSA-N Synonym: 3-fluoro-4-bromobenzonitrile,4-cyano-2-fluorobromobenzene,4-bromo-3-fluorobenzenecarbonitrile,benzonitrile, 4-bromo-3-fluoro,pubchem4707,intermediates-zcf02028,acmc-1c4z6,ksc493i5f,4-bromo-3-fluoro-benzonitrile,4-bromo-3-fluorobenzonitrile PubChem CID: 15165443 IUPAC Name: 4-bromo-3-fluorobenzonitrile SMILES: C1=CC(=C(C=C1C#N)F)Br
| PubChem CID | 15165443 |
|---|---|
| CAS | 133059-44-6 |
| Molecular Weight (g/mol) | 200.01 |
| MDL Number | MFCD07782069 |
| SMILES | C1=CC(=C(C=C1C#N)F)Br |
| Synonym | 3-fluoro-4-bromobenzonitrile,4-cyano-2-fluorobromobenzene,4-bromo-3-fluorobenzenecarbonitrile,benzonitrile, 4-bromo-3-fluoro,pubchem4707,intermediates-zcf02028,acmc-1c4z6,ksc493i5f,4-bromo-3-fluoro-benzonitrile,4-bromo-3-fluorobenzonitrile |
| IUPAC Name | 4-bromo-3-fluorobenzonitrile |
| InChI Key | QBKXYSXQKRNVRQ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrFN |
Bis(4-cyanophenyl) Ether 98.0+%, TCI America™
CAS: 6508-04-9 Molecular Formula: C14H8N2O Molecular Weight (g/mol): 220.23 InChI Key: RSAUOQFEFINEDM-UHFFFAOYSA-N PubChem CID: 81004 IUPAC Name: 4-(4-cyanophenoxy)benzonitrile SMILES: C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)C#N
| PubChem CID | 81004 |
|---|---|
| CAS | 6508-04-9 |
| Molecular Weight (g/mol) | 220.23 |
| SMILES | C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)C#N |
| IUPAC Name | 4-(4-cyanophenoxy)benzonitrile |
| InChI Key | RSAUOQFEFINEDM-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2O |
2-Nitro-4-(trifluoromethoxy)aniline 98.0+%, TCI America™
CAS: 2267-23-4 Molecular Formula: C7H5F3N2O3 Molecular Weight (g/mol): 222.12 MDL Number: MFCD00042326 InChI Key: YCGFVAPIBALHRT-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethoxy aniline,2-amino-5-trifluoromethoxy nitrobenzene,benzenamine, 2-nitro-4-trifluoromethoxy,1-amino-2-nitro-4-trifluoromethoxy benzene,2-nitro-4-trifluoromethoxy phenylamine,4-amino-3-nitro-alpha,alpha,alpha-trifluoroanisole,pubchem8514,acmc-1cnwp,ksc496g9b,2-nitro4-trifluoromethoxyaniline PubChem CID: 2775772 IUPAC Name: 2-nitro-4-(trifluoromethoxy)aniline SMILES: NC1=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O
| PubChem CID | 2775772 |
|---|---|
| CAS | 2267-23-4 |
| Molecular Weight (g/mol) | 222.12 |
| MDL Number | MFCD00042326 |
| SMILES | NC1=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O |
| Synonym | 2-nitro-4-trifluoromethoxy aniline,2-amino-5-trifluoromethoxy nitrobenzene,benzenamine, 2-nitro-4-trifluoromethoxy,1-amino-2-nitro-4-trifluoromethoxy benzene,2-nitro-4-trifluoromethoxy phenylamine,4-amino-3-nitro-alpha,alpha,alpha-trifluoroanisole,pubchem8514,acmc-1cnwp,ksc496g9b,2-nitro4-trifluoromethoxyaniline |
| IUPAC Name | 2-nitro-4-(trifluoromethoxy)aniline |
| InChI Key | YCGFVAPIBALHRT-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3N2O3 |
Dimethyl 5-Aminoisophthalate 98.0+%, TCI America™
CAS: 99-27-4 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.201 MDL Number: MFCD00008435 InChI Key: DEKPYXUDJRABNK-UHFFFAOYSA-N PubChem CID: 66831 IUPAC Name: dimethyl 5-aminobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)N)C(=O)OC
| PubChem CID | 66831 |
|---|---|
| CAS | 99-27-4 |
| Molecular Weight (g/mol) | 209.201 |
| MDL Number | MFCD00008435 |
| SMILES | COC(=O)C1=CC(=CC(=C1)N)C(=O)OC |
| IUPAC Name | dimethyl 5-aminobenzene-1,3-dicarboxylate |
| InChI Key | DEKPYXUDJRABNK-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO4 |