Benzene and substituted derivatives
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Ethyl 2,4-Difluorobenzoate 98.0+%, TCI America™
CAS: 108928-00-3 Molecular Formula: C9H8F2O2 Molecular Weight (g/mol): 186.16 MDL Number: MFCD00153149 InChI Key: OPQFYGPAOVCNEQ-UHFFFAOYSA-N Synonym: 2,4-difluorobenzoic acid ethyl ester,2,4-difluoro-benzoic acid ethyl ester,pubchem3467,acmc-209w2m,ethyl-2,4-difluorobenzoate,ethyl 2,4-di-fluorobenzoate,rarechem al bi 0213,ethyl2,4-difluorobenzoate,2,4 ethyl-difluorobenzoate,2,4-difluorobenzoic acid, ethyl ester PubChem CID: 2737170 IUPAC Name: ethyl 2,4-difluorobenzoate SMILES: CCOC(=O)C1=CC=C(F)C=C1F
| PubChem CID | 2737170 |
|---|---|
| CAS | 108928-00-3 |
| Molecular Weight (g/mol) | 186.16 |
| MDL Number | MFCD00153149 |
| SMILES | CCOC(=O)C1=CC=C(F)C=C1F |
| Synonym | 2,4-difluorobenzoic acid ethyl ester,2,4-difluoro-benzoic acid ethyl ester,pubchem3467,acmc-209w2m,ethyl-2,4-difluorobenzoate,ethyl 2,4-di-fluorobenzoate,rarechem al bi 0213,ethyl2,4-difluorobenzoate,2,4 ethyl-difluorobenzoate,2,4-difluorobenzoic acid, ethyl ester |
| IUPAC Name | ethyl 2,4-difluorobenzoate |
| InChI Key | OPQFYGPAOVCNEQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8F2O2 |
Bis(3-bromophenyl)acetylene 97.0+%, TCI America™
CAS: 153404-60-5 Molecular Formula: C14H8Br2 Molecular Weight (g/mol): 336.03 MDL Number: MFCD11111154 InChI Key: WSXUXTVJTIPBAF-UHFFFAOYSA-N PubChem CID: 12022272 IUPAC Name: 1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene SMILES: BrC1=CC=CC(=C1)C#CC1=CC(Br)=CC=C1
| PubChem CID | 12022272 |
|---|---|
| CAS | 153404-60-5 |
| Molecular Weight (g/mol) | 336.03 |
| MDL Number | MFCD11111154 |
| SMILES | BrC1=CC=CC(=C1)C#CC1=CC(Br)=CC=C1 |
| IUPAC Name | 1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene |
| InChI Key | WSXUXTVJTIPBAF-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2 |
| PubChem CID | 12109469 |
|---|---|
| CAS | 182344-16-7 |
| MDL Number | MFCD08062379 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | SWUPLEAGZOKLNX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BF4O2 |
| Formula Weight | 207.92 |
| Melting Point | 186°C |
4-(4-Chlorophenoxy)benzonitrile 98.0+%, TCI America™
CAS: 74448-92-3 Molecular Formula: C13H8ClNO Molecular Weight (g/mol): 229.663 InChI Key: SOTAPBLDXLHNRZ-UHFFFAOYSA-N Synonym: 4-Chloro-4′C-cyanodiphenyl Ether PubChem CID: 11195570 IUPAC Name: 4-(4-chlorophenoxy)benzonitrile SMILES: C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl
| PubChem CID | 11195570 |
|---|---|
| CAS | 74448-92-3 |
| Molecular Weight (g/mol) | 229.663 |
| SMILES | C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl |
| Synonym | 4-Chloro-4′C-cyanodiphenyl Ether |
| IUPAC Name | 4-(4-chlorophenoxy)benzonitrile |
| InChI Key | SOTAPBLDXLHNRZ-UHFFFAOYSA-N |
| Molecular Formula | C13H8ClNO |
4-Bromo-2-fluorobenzonitrile 98.0+%, TCI America™
CAS: 105942-08-3 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD00143264 InChI Key: HGXWRDPQFZKOLZ-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzonitrile,4-bromo-2-fluoro-benzonitrile,benzonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorobenzenecarbonitrile,4-cyano-3-fluorobromobenzene,pubchem3221,2-floro-4-bromobenzonitrile,4-bromo-2-fluorobenzontrile,4-bromo-6-fluorobenzonitrile,ksc490q4t PubChem CID: 736029 IUPAC Name: 4-bromo-2-fluorobenzonitrile SMILES: FC1=CC(Br)=CC=C1C#N
| PubChem CID | 736029 |
|---|---|
| CAS | 105942-08-3 |
| Molecular Weight (g/mol) | 200.01 |
| MDL Number | MFCD00143264 |
| SMILES | FC1=CC(Br)=CC=C1C#N |
| Synonym | 2-fluoro-4-bromobenzonitrile,4-bromo-2-fluoro-benzonitrile,benzonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorobenzenecarbonitrile,4-cyano-3-fluorobromobenzene,pubchem3221,2-floro-4-bromobenzonitrile,4-bromo-2-fluorobenzontrile,4-bromo-6-fluorobenzonitrile,ksc490q4t |
| IUPAC Name | 4-bromo-2-fluorobenzonitrile |
| InChI Key | HGXWRDPQFZKOLZ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrFN |
2-Bromo-4-fluorobenzonitrile 98.0+%, TCI America™
CAS: 36282-26-5 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD00672924 InChI Key: MNNDREXLRLDWEY-UHFFFAOYSA-N Synonym: 4-fluoro-2-bromobenzonitrile,2-bromo-4-fluoro-benzonitrile,2-bromo-4-fluorobenzenecarbonitrile,2-cyano-5-fluorobromobenzene,benzonitrile, 2-bromo-4-fluoro,pubchem3217,acmc-1ajip,ksc490q6h,2-bromo-4-fluoro benzonitrile,2-bromo-4-fluorobenzonitrile PubChem CID: 118939 IUPAC Name: 2-bromo-4-fluorobenzonitrile SMILES: FC1=CC=C(C#N)C(Br)=C1
| PubChem CID | 118939 |
|---|---|
| CAS | 36282-26-5 |
| Molecular Weight (g/mol) | 200.01 |
| MDL Number | MFCD00672924 |
| SMILES | FC1=CC=C(C#N)C(Br)=C1 |
| Synonym | 4-fluoro-2-bromobenzonitrile,2-bromo-4-fluoro-benzonitrile,2-bromo-4-fluorobenzenecarbonitrile,2-cyano-5-fluorobromobenzene,benzonitrile, 2-bromo-4-fluoro,pubchem3217,acmc-1ajip,ksc490q6h,2-bromo-4-fluoro benzonitrile,2-bromo-4-fluorobenzonitrile |
| IUPAC Name | 2-bromo-4-fluorobenzonitrile |
| InChI Key | MNNDREXLRLDWEY-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrFN |
p-Anisidine Hydrochloride 99.0+%, TCI America™
CAS: 20265-97-8 Molecular Formula: C7H10ClNO Molecular Weight (g/mol): 159.613 MDL Number: MFCD00036388 InChI Key: VQYJLACQFYZHCO-UHFFFAOYSA-N Synonym: p-anisidine hydrochloride,4-methoxyaniline hydrochloride,unii-7c4r75n8vg,benzenamine, 4-methoxy-, hydrochloride,p-anisidine.hcl,p-anisidine hcl,p-anisidinium chloride,4-anisidine hydrochloride,p-anisylamine hydrochloride,p-aminoanisole hydrochloride PubChem CID: 2734956 IUPAC Name: 4-methoxyaniline;hydrochloride SMILES: COC1=CC=C(C=C1)N.Cl
| PubChem CID | 2734956 |
|---|---|
| CAS | 20265-97-8 |
| Molecular Weight (g/mol) | 159.613 |
| MDL Number | MFCD00036388 |
| SMILES | COC1=CC=C(C=C1)N.Cl |
| Synonym | p-anisidine hydrochloride,4-methoxyaniline hydrochloride,unii-7c4r75n8vg,benzenamine, 4-methoxy-, hydrochloride,p-anisidine.hcl,p-anisidine hcl,p-anisidinium chloride,4-anisidine hydrochloride,p-anisylamine hydrochloride,p-aminoanisole hydrochloride |
| IUPAC Name | 4-methoxyaniline;hydrochloride |
| InChI Key | VQYJLACQFYZHCO-UHFFFAOYSA-N |
| Molecular Formula | C7H10ClNO |
2-Amino-2'-chloro-5-nitrobenzophenone 98.0+%, TCI America™
CAS: 2011-66-7 Molecular Formula: C13H9ClN2O3 Molecular Weight (g/mol): 276.68 MDL Number: MFCD00792453 InChI Key: GRDGBWVSVMLKBV-UHFFFAOYSA-N Synonym: 2-amino-2'-chloro-5-nitrobenzophenone,2-amino-5-nitrophenyl 2-chlorophenyl methanone,2-amino-5-nitro-2'-chlorobenzophenone,2-amino-2'-chloro-5-nitro benzophenone,2-2-chlorobenzoyl-4-nitroaniline,methanone, 2-amino-5-nitrophenyl 2-chlorophenyl,2-amino-5-nitrophenyl-2-chlorophenyl methanone,2-amino-5-nitro-phenyl-2-chloro-phenyl-methanone,2-amino-5-nitro-2'-chloro benzophenone,pubchem3255 PubChem CID: 74830 IUPAC Name: 2-(2-chlorobenzoyl)-4-nitroaniline SMILES: NC1=CC=C(C=C1C(=O)C1=CC=CC=C1Cl)[N+]([O-])=O
| PubChem CID | 74830 |
|---|---|
| CAS | 2011-66-7 |
| Molecular Weight (g/mol) | 276.68 |
| MDL Number | MFCD00792453 |
| SMILES | NC1=CC=C(C=C1C(=O)C1=CC=CC=C1Cl)[N+]([O-])=O |
| Synonym | 2-amino-2'-chloro-5-nitrobenzophenone,2-amino-5-nitrophenyl 2-chlorophenyl methanone,2-amino-5-nitro-2'-chlorobenzophenone,2-amino-2'-chloro-5-nitro benzophenone,2-2-chlorobenzoyl-4-nitroaniline,methanone, 2-amino-5-nitrophenyl 2-chlorophenyl,2-amino-5-nitrophenyl-2-chlorophenyl methanone,2-amino-5-nitro-phenyl-2-chloro-phenyl-methanone,2-amino-5-nitro-2'-chloro benzophenone,pubchem3255 |
| IUPAC Name | 2-(2-chlorobenzoyl)-4-nitroaniline |
| InChI Key | GRDGBWVSVMLKBV-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClN2O3 |
2-Fluorotoluene 99.0+%, TCI America™
CAS: 95-52-3 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.131 MDL Number: MFCD00000322 InChI Key: MMZYCBHLNZVROM-UHFFFAOYSA-N Synonym: 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h PubChem CID: 7241 IUPAC Name: 1-fluoro-2-methylbenzene SMILES: CC1=CC=CC=C1F
| PubChem CID | 7241 |
|---|---|
| CAS | 95-52-3 |
| Molecular Weight (g/mol) | 110.131 |
| MDL Number | MFCD00000322 |
| SMILES | CC1=CC=CC=C1F |
| Synonym | 2-fluorotoluene,o-fluorotoluene,benzene, 1-fluoro-2-methyl,toluene, o-fluoro,1-methyl-2-fluorobenzene,unii-l55xkb3k7h,1-fluoro-2-methyl-benzene,ortho-fluorotoluene,fluorotoluene,l55xkb3k7h |
| IUPAC Name | 1-fluoro-2-methylbenzene |
| InChI Key | MMZYCBHLNZVROM-UHFFFAOYSA-N |
| Molecular Formula | C7H7F |
3-Amino-4-chlorobenzotrifluoride 98.0+%, TCI America™
CAS: 121-50-6 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.569 MDL Number: MFCD00007673 InChI Key: VKTTYIXIDXWHKW-UHFFFAOYSA-N Synonym: 3-amino-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl aniline,fast orange rd oil,fast orange salt rd,orange salt nrd,benzenamine, 2-chloro-5-trifluoromethyl,fast orange rd salt,daito orange salt rd,diazo fast orange rd,fast orange salt rda PubChem CID: 8475 IUPAC Name: 2-chloro-5-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1C(F)(F)F)N)Cl
| PubChem CID | 8475 |
|---|---|
| CAS | 121-50-6 |
| Molecular Weight (g/mol) | 195.569 |
| MDL Number | MFCD00007673 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N)Cl |
| Synonym | 3-amino-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl aniline,fast orange rd oil,fast orange salt rd,orange salt nrd,benzenamine, 2-chloro-5-trifluoromethyl,fast orange rd salt,daito orange salt rd,diazo fast orange rd,fast orange salt rda |
| IUPAC Name | 2-chloro-5-(trifluoromethyl)aniline |
| InChI Key | VKTTYIXIDXWHKW-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClF3N |
5-Formylsalicylic Acid 98.0+%, TCI America™
CAS: 616-76-2 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00006945 InChI Key: UTCFOFWMEPQCSR-UHFFFAOYSA-N Synonym: 5-formylsalicylic acid,2-hydroxy-5-formylbenzoic acid,benzoic acid, 5-formyl-2-hydroxy,5-formylsalicylicacid,5-formylsalicylic acide,3-carboxy-4-hydroxybenzaldehyde,5-formyl-2-hydroxy-benzoic acid,pubchem10569,acmc-209mva,5-formyl salicylic acid PubChem CID: 69226 IUPAC Name: 5-formyl-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(C=O)=CC=C1O
| PubChem CID | 69226 |
|---|---|
| CAS | 616-76-2 |
| Molecular Weight (g/mol) | 166.13 |
| MDL Number | MFCD00006945 |
| SMILES | OC(=O)C1=CC(C=O)=CC=C1O |
| Synonym | 5-formylsalicylic acid,2-hydroxy-5-formylbenzoic acid,benzoic acid, 5-formyl-2-hydroxy,5-formylsalicylicacid,5-formylsalicylic acide,3-carboxy-4-hydroxybenzaldehyde,5-formyl-2-hydroxy-benzoic acid,pubchem10569,acmc-209mva,5-formyl salicylic acid |
| IUPAC Name | 5-formyl-2-hydroxybenzoic acid |
| InChI Key | UTCFOFWMEPQCSR-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |
1-Bromo-3-iodobenzene (stabilized with Copper chip) 97.0+%, TCI America™
CAS: 591-18-4 Molecular Formula: C6H4BrI Molecular Weight (g/mol): 282.91 MDL Number: MFCD00001043 InChI Key: CTPUUDQIXKUAMO-UHFFFAOYSA-N Synonym: 3-bromoiodobenzene,benzene, 1-bromo-3-iodo,m-bromoiodobenzene,1-bromo-3-iodo-benzene,3-bromo-1-iodobenzene,attercop-chm at127411,m-bromjodbenzol,3-iodobromobenzene,3-bromo iodobenzene PubChem CID: 11561 IUPAC Name: 1-bromo-3-iodobenzene SMILES: BrC1=CC=CC(I)=C1
| PubChem CID | 11561 |
|---|---|
| CAS | 591-18-4 |
| Molecular Weight (g/mol) | 282.91 |
| MDL Number | MFCD00001043 |
| SMILES | BrC1=CC=CC(I)=C1 |
| Synonym | 3-bromoiodobenzene,benzene, 1-bromo-3-iodo,m-bromoiodobenzene,1-bromo-3-iodo-benzene,3-bromo-1-iodobenzene,attercop-chm at127411,m-bromjodbenzol,3-iodobromobenzene,3-bromo iodobenzene |
| IUPAC Name | 1-bromo-3-iodobenzene |
| InChI Key | CTPUUDQIXKUAMO-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrI |
1,3-Dichloro-2-iodobenzene 98.0+%, TCI America™
CAS: 19230-28-5 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.89 MDL Number: MFCD00060658 InChI Key: ZMPGXSFTXBOKFM-UHFFFAOYSA-N Synonym: 2,6-dichloroiodobenzene,benzene, 1,3-dichloro-2-iodo,pubchem9581,acmc-1c3f6,ksc494i7b,1,3-dichloro-2-iodo-benzene,#,benzene,1,3-dichloro-2-iodo,attercop-chm at115975 PubChem CID: 140498 IUPAC Name: 1,3-dichloro-2-iodobenzene SMILES: ClC1=CC=CC(Cl)=C1I
| PubChem CID | 140498 |
|---|---|
| CAS | 19230-28-5 |
| Molecular Weight (g/mol) | 272.89 |
| MDL Number | MFCD00060658 |
| SMILES | ClC1=CC=CC(Cl)=C1I |
| Synonym | 2,6-dichloroiodobenzene,benzene, 1,3-dichloro-2-iodo,pubchem9581,acmc-1c3f6,ksc494i7b,1,3-dichloro-2-iodo-benzene,#,benzene,1,3-dichloro-2-iodo,attercop-chm at115975 |
| IUPAC Name | 1,3-dichloro-2-iodobenzene |
| InChI Key | ZMPGXSFTXBOKFM-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2I |
N-[3-[3-(Dimethylamino)acryloyl]phenyl]-N-ethylacetamide 98.0+%, TCI America™
CAS: 96605-66-2 Molecular Formula: C15H20N2O2 Molecular Weight (g/mol): 260.337 MDL Number: MFCD04117958 InChI Key: UXWJJVRASIHSQS-MDZDMXLPSA-N PubChem CID: 11149633 IUPAC Name: N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamide SMILES: CCN(C1=CC=CC(=C1)C(=O)C=CN(C)C)C(=O)C
| PubChem CID | 11149633 |
|---|---|
| CAS | 96605-66-2 |
| Molecular Weight (g/mol) | 260.337 |
| MDL Number | MFCD04117958 |
| SMILES | CCN(C1=CC=CC(=C1)C(=O)C=CN(C)C)C(=O)C |
| IUPAC Name | N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamide |
| InChI Key | UXWJJVRASIHSQS-MDZDMXLPSA-N |
| Molecular Formula | C15H20N2O2 |
2-Chloro-4-(methylsulfonyl)benzoic Acid 98.0+%, TCI America™
CAS: 53250-83-2 Molecular Formula: C8H6ClO4S Molecular Weight (g/mol): 233.64 MDL Number: MFCD00216496 InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-M Synonym: 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa PubChem CID: 735863 IUPAC Name: 2-chloro-4-methanesulfonylbenzoate SMILES: CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1
| PubChem CID | 735863 |
|---|---|
| CAS | 53250-83-2 |
| Molecular Weight (g/mol) | 233.64 |
| MDL Number | MFCD00216496 |
| SMILES | CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1 |
| Synonym | 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa |
| IUPAC Name | 2-chloro-4-methanesulfonylbenzoate |
| InChI Key | CTTWSFIIFMWHLQ-UHFFFAOYSA-M |
| Molecular Formula | C8H6ClO4S |