Benzene and substituted derivatives
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2,3-Difluorophenylacetic Acid 98.0+%, TCI America™
CAS: 145689-41-4 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00040968 InChI Key: UXSQXUSJGPVOKT-UHFFFAOYSA-N Synonym: 2,3-difluorophenylacetic acid,2-2,3-difluorophenyl acetic acid,2,3-difluorophenyl acetic acid,2,3-difluorophenylaceticacid,benzeneacetic acid, 2,3-difluoro,2,3-difluorobenzeneacetic acid,rarechem al bo 0630,pubchem1916,acmc-1crot PubChem CID: 520772 IUPAC Name: 2-(2,3-difluorophenyl)acetic acid SMILES: C1=CC(=C(C(=C1)F)F)CC(=O)O
| PubChem CID | 520772 |
|---|---|
| CAS | 145689-41-4 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00040968 |
| SMILES | C1=CC(=C(C(=C1)F)F)CC(=O)O |
| Synonym | 2,3-difluorophenylacetic acid,2-2,3-difluorophenyl acetic acid,2,3-difluorophenyl acetic acid,2,3-difluorophenylaceticacid,benzeneacetic acid, 2,3-difluoro,2,3-difluorobenzeneacetic acid,rarechem al bo 0630,pubchem1916,acmc-1crot |
| IUPAC Name | 2-(2,3-difluorophenyl)acetic acid |
| InChI Key | UXSQXUSJGPVOKT-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
4-Chloro-2-fluorotoluene 98.0+%, TCI America™
CAS: 452-75-5 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.57 MDL Number: MFCD00000571 InChI Key: MKFCYQTVSDCXAQ-UHFFFAOYSA-N Synonym: 4-chloro-2-fluorotoluene,2-fluoro-4-chlorotoluene,benzene, 4-chloro-2-fluoro-1-methyl,pubchem3437,acmc-209k1n,ksc493m8j,mkfcyqtvsdcxaq-uhfffaoysa,4-chloro-2-fluoro-1-methyl-benzene PubChem CID: 520630 IUPAC Name: 4-chloro-2-fluoro-1-methylbenzene SMILES: CC1=CC=C(Cl)C=C1F
| PubChem CID | 520630 |
|---|---|
| CAS | 452-75-5 |
| Molecular Weight (g/mol) | 144.57 |
| MDL Number | MFCD00000571 |
| SMILES | CC1=CC=C(Cl)C=C1F |
| Synonym | 4-chloro-2-fluorotoluene,2-fluoro-4-chlorotoluene,benzene, 4-chloro-2-fluoro-1-methyl,pubchem3437,acmc-209k1n,ksc493m8j,mkfcyqtvsdcxaq-uhfffaoysa,4-chloro-2-fluoro-1-methyl-benzene |
| IUPAC Name | 4-chloro-2-fluoro-1-methylbenzene |
| InChI Key | MKFCYQTVSDCXAQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClF |
2,5-Dibromo-1,3-difluorobenzene 98.0+%, TCI America™
CAS: 128259-71-2 Molecular Formula: C6H2Br2F2 Molecular Weight (g/mol): 271.887 MDL Number: MFCD07783665 InChI Key: OCUXAWVQPORIBP-UHFFFAOYSA-N PubChem CID: 24721227 IUPAC Name: 2,5-dibromo-1,3-difluorobenzene SMILES: C1=C(C=C(C(=C1F)Br)F)Br
| PubChem CID | 24721227 |
|---|---|
| CAS | 128259-71-2 |
| Molecular Weight (g/mol) | 271.887 |
| MDL Number | MFCD07783665 |
| SMILES | C1=C(C=C(C(=C1F)Br)F)Br |
| IUPAC Name | 2,5-dibromo-1,3-difluorobenzene |
| InChI Key | OCUXAWVQPORIBP-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2F2 |
2-Bromo-1-chloro-4-fluorobenzene 98.0+%, TCI America™
CAS: 201849-15-2 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00061120 InChI Key: FOCCSIJMXBTKHD-UHFFFAOYSA-N Synonym: 2-chloro-5-fluorobromobenzene,1-bromo-2-chloro-5-fluorobenzene,3-bromo-4-chlorofluorobenzene,2-bromo-1-chloro-4-fluoro-benzene,benzene, 2-bromo-1-chloro-4-fluoro,pubchem4270,acmc-209f6i,ksc494o8h,1-chloro-2-bromo-4-fluorobenzene,2-bromo-4-fluorochlorobenzene PubChem CID: 2773263 IUPAC Name: 2-bromo-1-chloro-4-fluorobenzene SMILES: FC1=CC(Br)=C(Cl)C=C1
| PubChem CID | 2773263 |
|---|---|
| CAS | 201849-15-2 |
| Molecular Weight (g/mol) | 209.44 |
| MDL Number | MFCD00061120 |
| SMILES | FC1=CC(Br)=C(Cl)C=C1 |
| Synonym | 2-chloro-5-fluorobromobenzene,1-bromo-2-chloro-5-fluorobenzene,3-bromo-4-chlorofluorobenzene,2-bromo-1-chloro-4-fluoro-benzene,benzene, 2-bromo-1-chloro-4-fluoro,pubchem4270,acmc-209f6i,ksc494o8h,1-chloro-2-bromo-4-fluorobenzene,2-bromo-4-fluorochlorobenzene |
| IUPAC Name | 2-bromo-1-chloro-4-fluorobenzene |
| InChI Key | FOCCSIJMXBTKHD-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
2,6-Difluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 162101-25-9 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 InChI Key: DBZAICSEFBVFHL-UHFFFAOYSA-N Synonym: 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid,2,6-difluoro phenylboric acid,boronic acid, b-2,6-difluorophenyl,2,6-difluorophenylboricacid,pubchem1816,acmc-1celt PubChem CID: 2734336 IUPAC Name: (2,6-difluorophenyl)boronic acid SMILES: B(C1=C(C=CC=C1F)F)(O)O
| PubChem CID | 2734336 |
|---|---|
| CAS | 162101-25-9 |
| Molecular Weight (g/mol) | 157.911 |
| SMILES | B(C1=C(C=CC=C1F)F)(O)O |
| Synonym | 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid,2,6-difluoro phenylboric acid,boronic acid, b-2,6-difluorophenyl,2,6-difluorophenylboricacid,pubchem1816,acmc-1celt |
| IUPAC Name | (2,6-difluorophenyl)boronic acid |
| InChI Key | DBZAICSEFBVFHL-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF2O2 |
trans,trans-4'-(3-Butenyl)-4-(3,4-difluorophenyl)bicyclohexyl 98.0+%, TCI America™
CAS: 155266-68-5 Molecular Formula: C22H30F2 Molecular Weight (g/mol): 332.48 MDL Number: MFCD11053352 InChI Key: UMULWEQZNFZORL-UHFFFAOYSA-N PubChem CID: 23509154 IUPAC Name: 4-(but-3-en-1-yl)-4'-(3,4-difluorophenyl)-1,1'-bi(cyclohexane) SMILES: FC1=C(F)C=C(C=C1)C1CCC(CC1)C1CCC(CCC=C)CC1
| PubChem CID | 23509154 |
|---|---|
| CAS | 155266-68-5 |
| Molecular Weight (g/mol) | 332.48 |
| MDL Number | MFCD11053352 |
| SMILES | FC1=C(F)C=C(C=C1)C1CCC(CC1)C1CCC(CCC=C)CC1 |
| IUPAC Name | 4-(but-3-en-1-yl)-4'-(3,4-difluorophenyl)-1,1'-bi(cyclohexane) |
| InChI Key | UMULWEQZNFZORL-UHFFFAOYSA-N |
| Molecular Formula | C22H30F2 |
Phthalamic Acid 98.0+%, TCI America™
CAS: 88-97-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD00025476 InChI Key: CYMRPDYINXWJFU-UHFFFAOYSA-N Synonym: phthalamic acid,phthalamidic acid,phthalamide acid,phthalic monoamide,phthalic acid monoamide,o-carbamoylbenzoic acid,benzoic acid, 2-aminocarbonyl,benzoic acid, o-carbamoyl,unii-v344h4pf3y,2-aminocarbonyl benzoic acid PubChem CID: 6957 ChEBI: CHEBI:50736 IUPAC Name: 2-carbamoylbenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)N)C(=O)O
| PubChem CID | 6957 |
|---|---|
| CAS | 88-97-1 |
| Molecular Weight (g/mol) | 165.148 |
| ChEBI | CHEBI:50736 |
| MDL Number | MFCD00025476 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)C(=O)O |
| Synonym | phthalamic acid,phthalamidic acid,phthalamide acid,phthalic monoamide,phthalic acid monoamide,o-carbamoylbenzoic acid,benzoic acid, 2-aminocarbonyl,benzoic acid, o-carbamoyl,unii-v344h4pf3y,2-aminocarbonyl benzoic acid |
| IUPAC Name | 2-carbamoylbenzoic acid |
| InChI Key | CYMRPDYINXWJFU-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
4-Phenoxyaniline 98.0+%, TCI America™
CAS: 139-59-3 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.226 MDL Number: MFCD00007862 InChI Key: WOYZXEVUWXQVNV-UHFFFAOYSA-N Synonym: p-phenoxyaniline,4-aminodiphenyl ether,benzenamine, 4-phenoxy,4-phenoxybenzenamine,4-aminophenyl phenyl ether,4-aminodifenylether,4-amino-1-phenoxybenzene,aniline, p-phenoxy,4-aminobiphenyl ether,4-aminodiphenylether PubChem CID: 8764 IUPAC Name: 4-phenoxyaniline SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)N
| PubChem CID | 8764 |
|---|---|
| CAS | 139-59-3 |
| Molecular Weight (g/mol) | 185.226 |
| MDL Number | MFCD00007862 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)N |
| Synonym | p-phenoxyaniline,4-aminodiphenyl ether,benzenamine, 4-phenoxy,4-phenoxybenzenamine,4-aminophenyl phenyl ether,4-aminodifenylether,4-amino-1-phenoxybenzene,aniline, p-phenoxy,4-aminobiphenyl ether,4-aminodiphenylether |
| IUPAC Name | 4-phenoxyaniline |
| InChI Key | WOYZXEVUWXQVNV-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO |
2,3,4,5,6-Pentafluorobenzophenone 98.0+%, TCI America™
CAS: 1536-23-8 Molecular Formula: C13H5F5O Molecular Weight (g/mol): 272.17 MDL Number: MFCD00000294 InChI Key: HCCPWBWOSASKLG-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzophenone,pentafluorobenzophenone,perfluorophenyl phenyl methanone,pentafluorophenyl phenyl methanone,methanone, pentafluorophenyl phenyl,benzophenone, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorophenyl phenyl methanone,2,3,4,5,6-pentafluorophenyl phenyl ketone,benzoylpentafluorobenzene,acmc-1bvr7 PubChem CID: 73755 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)(phenyl)methanone SMILES: FC1=C(F)C(F)=C(C(=O)C2=CC=CC=C2)C(F)=C1F
| PubChem CID | 73755 |
|---|---|
| CAS | 1536-23-8 |
| Molecular Weight (g/mol) | 272.17 |
| MDL Number | MFCD00000294 |
| SMILES | FC1=C(F)C(F)=C(C(=O)C2=CC=CC=C2)C(F)=C1F |
| Synonym | 2,3,4,5,6-pentafluorobenzophenone,pentafluorobenzophenone,perfluorophenyl phenyl methanone,pentafluorophenyl phenyl methanone,methanone, pentafluorophenyl phenyl,benzophenone, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorophenyl phenyl methanone,2,3,4,5,6-pentafluorophenyl phenyl ketone,benzoylpentafluorobenzene,acmc-1bvr7 |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)(phenyl)methanone |
| InChI Key | HCCPWBWOSASKLG-UHFFFAOYSA-N |
| Molecular Formula | C13H5F5O |
Ditridecyl Phthalate (mixture of branched chain isomers), TCI America™
CAS: 75359-31-8 Molecular Formula: C34H58O4 Molecular Weight (g/mol): 530.834 MDL Number: MFCD00048451 InChI Key: YCZJVRCZIPDYHH-UHFFFAOYSA-N Synonym: Phthalic Acid Ditridecyl Ester PubChem CID: 8379 IUPAC Name: ditridecyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCC
| PubChem CID | 8379 |
|---|---|
| CAS | 75359-31-8 |
| Molecular Weight (g/mol) | 530.834 |
| MDL Number | MFCD00048451 |
| SMILES | CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCC |
| Synonym | Phthalic Acid Ditridecyl Ester |
| IUPAC Name | ditridecyl benzene-1,2-dicarboxylate |
| InChI Key | YCZJVRCZIPDYHH-UHFFFAOYSA-N |
| Molecular Formula | C34H58O4 |
2-(Phenylsulfonylmethyl)benzonitrile 98.0+%, TCI America™
CAS: 82651-72-7 Molecular Formula: C14H11NO2S Molecular Weight (g/mol): 257.307 MDL Number: MFCD06797158 InChI Key: MDVRSLRSVHAHNX-UHFFFAOYSA-N Synonym: 2-(Benzenesulfonylmethyl)benzonitrile, 2-Cyanobenzyl Phenyl Sulfone PubChem CID: 44630459 IUPAC Name: 2-(benzenesulfonylmethyl)benzonitrile SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2C#N
| PubChem CID | 44630459 |
|---|---|
| CAS | 82651-72-7 |
| Molecular Weight (g/mol) | 257.307 |
| MDL Number | MFCD06797158 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2C#N |
| Synonym | 2-(Benzenesulfonylmethyl)benzonitrile, 2-Cyanobenzyl Phenyl Sulfone |
| IUPAC Name | 2-(benzenesulfonylmethyl)benzonitrile |
| InChI Key | MDVRSLRSVHAHNX-UHFFFAOYSA-N |
| Molecular Formula | C14H11NO2S |
4-Phenoxybutyric Acid 98.0+%, TCI America™
CAS: 6303-58-8 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00042656 InChI Key: YKYVPFIBWVQZCE-UHFFFAOYSA-N Synonym: 4-phenoxybutyric acid,butyric acid, 4-phenoxy,butanoic acid, 4-phenoxy,4-phenoxy-butyric acid,gamma-phenoxybutyric acid,4-phenoxy-n-butyric acid,.gamma.-phenoxybutyric acid,4-phenoxybutyricacid,acmc-209nce,4-phenoxy butanoic acid PubChem CID: 22741 IUPAC Name: 4-phenoxybutanoic acid SMILES: OC(=O)CCCOC1=CC=CC=C1
| PubChem CID | 22741 |
|---|---|
| CAS | 6303-58-8 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00042656 |
| SMILES | OC(=O)CCCOC1=CC=CC=C1 |
| Synonym | 4-phenoxybutyric acid,butyric acid, 4-phenoxy,butanoic acid, 4-phenoxy,4-phenoxy-butyric acid,gamma-phenoxybutyric acid,4-phenoxy-n-butyric acid,.gamma.-phenoxybutyric acid,4-phenoxybutyricacid,acmc-209nce,4-phenoxy butanoic acid |
| IUPAC Name | 4-phenoxybutanoic acid |
| InChI Key | YKYVPFIBWVQZCE-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
2-(4-Fluorophenyl)ethyl Bromide 95.0+%, TCI America™
CAS: 332-42-3 Molecular Formula: C8H8BrF Molecular Weight (g/mol): 203.05 MDL Number: MFCD03844794 InChI Key: FLRUNCJXOVYWDH-UHFFFAOYSA-N Synonym: 1-2-bromoethyl-4-fluorobenzene,1-fluoro-4-2-bromoethyl benzene,4-fluorophenethyl bromide,2-4-fluorophenyl ethyl bromide,1-bromo-2-4-fluorophenyl ethane,2-4-fluorophenyl ethylbromide,4-fluorophenylethyl bromide,1-2-bromo-ethyl-4-fluoro-benzene,benzene, 1-2-bromoethyl-4-fluoro,1-2-bromoethyl-4-fluoro-benzene PubChem CID: 573153 IUPAC Name: 1-(2-bromoethyl)-4-fluorobenzene SMILES: FC1=CC=C(CCBr)C=C1
| PubChem CID | 573153 |
|---|---|
| CAS | 332-42-3 |
| Molecular Weight (g/mol) | 203.05 |
| MDL Number | MFCD03844794 |
| SMILES | FC1=CC=C(CCBr)C=C1 |
| Synonym | 1-2-bromoethyl-4-fluorobenzene,1-fluoro-4-2-bromoethyl benzene,4-fluorophenethyl bromide,2-4-fluorophenyl ethyl bromide,1-bromo-2-4-fluorophenyl ethane,2-4-fluorophenyl ethylbromide,4-fluorophenylethyl bromide,1-2-bromo-ethyl-4-fluoro-benzene,benzene, 1-2-bromoethyl-4-fluoro,1-2-bromoethyl-4-fluoro-benzene |
| IUPAC Name | 1-(2-bromoethyl)-4-fluorobenzene |
| InChI Key | FLRUNCJXOVYWDH-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrF |
2-Bromo-6-fluorotoluene 98.0+%, TCI America™
CAS: 1422-54-4 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00051438 InChI Key: DJGXPFQIMLEVPA-UHFFFAOYSA-N Synonym: 2-bromo-6-fluorotoluene,2-fluoro-6-bromotoluene,1-bromo-3-fluoro-2-methyl-benzene,6-bromo-2-fluorotoluene,2-fluoro-6-bromo toluene,benzene, 1-bromo-3-fluoro-2-methyl,pubchem3236,acmc-1bwk3,2-bromo-6-fluoro-toluene PubChem CID: 2736335 IUPAC Name: 1-bromo-3-fluoro-2-methylbenzene SMILES: CC1=C(C=CC=C1Br)F
| PubChem CID | 2736335 |
|---|---|
| CAS | 1422-54-4 |
| Molecular Weight (g/mol) | 189.027 |
| MDL Number | MFCD00051438 |
| SMILES | CC1=C(C=CC=C1Br)F |
| Synonym | 2-bromo-6-fluorotoluene,2-fluoro-6-bromotoluene,1-bromo-3-fluoro-2-methyl-benzene,6-bromo-2-fluorotoluene,2-fluoro-6-bromo toluene,benzene, 1-bromo-3-fluoro-2-methyl,pubchem3236,acmc-1bwk3,2-bromo-6-fluoro-toluene |
| IUPAC Name | 1-bromo-3-fluoro-2-methylbenzene |
| InChI Key | DJGXPFQIMLEVPA-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |