Benzene and substituted derivatives
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trans-4'-(3,4-Difluorophenyl)bicyclohexyl-4-one 98.0+%, TCI America™
CAS: 147622-85-3 Molecular Formula: C18H22F2O Molecular Weight (g/mol): 292.37 InChI Key: IUJMYVYPSSBPCX-UHFFFAOYSA-N PubChem CID: 11493045 IUPAC Name: 4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one SMILES: C1CC(CCC1C2CCC(=O)CC2)C3=CC(=C(C=C3)F)F
| PubChem CID | 11493045 |
|---|---|
| CAS | 147622-85-3 |
| Molecular Weight (g/mol) | 292.37 |
| SMILES | C1CC(CCC1C2CCC(=O)CC2)C3=CC(=C(C=C3)F)F |
| IUPAC Name | 4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one |
| InChI Key | IUJMYVYPSSBPCX-UHFFFAOYSA-N |
| Molecular Formula | C18H22F2O |
3,3-Diphenyl-1-propanol 98.0+%, TCI America™
CAS: 20017-67-8 Molecular Formula: C15H16O Molecular Weight (g/mol): 212.29 MDL Number: MFCD00002930 InChI Key: IDCXQMVSIIJUEH-UHFFFAOYSA-N PubChem CID: 29908 IUPAC Name: 3,3-diphenylpropan-1-ol SMILES: OCCC(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 29908 |
|---|---|
| CAS | 20017-67-8 |
| Molecular Weight (g/mol) | 212.29 |
| MDL Number | MFCD00002930 |
| SMILES | OCCC(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 3,3-diphenylpropan-1-ol |
| InChI Key | IDCXQMVSIIJUEH-UHFFFAOYSA-N |
| Molecular Formula | C15H16O |
2-Aminodiphenyl Ether 98.0+%, TCI America™
CAS: 2688-84-8 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.226 MDL Number: MFCD00035765 InChI Key: NMFFUUFPJJOWHK-UHFFFAOYSA-N Synonym: 2-aminodiphenyl ether,o-phenoxyaniline,2-aminophenyl phenyl ether,benzenamine, 2-phenoxy,2-ade,2-phenoxybenzenamine,o-aminophenyl phenyl ether,aniline, 2-phenoxy,aniline, o-phenoxy,2-phonoxyaniline PubChem CID: 75899 IUPAC Name: 2-phenoxyaniline SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2N
| PubChem CID | 75899 |
|---|---|
| CAS | 2688-84-8 |
| Molecular Weight (g/mol) | 185.226 |
| MDL Number | MFCD00035765 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2N |
| Synonym | 2-aminodiphenyl ether,o-phenoxyaniline,2-aminophenyl phenyl ether,benzenamine, 2-phenoxy,2-ade,2-phenoxybenzenamine,o-aminophenyl phenyl ether,aniline, 2-phenoxy,aniline, o-phenoxy,2-phonoxyaniline |
| IUPAC Name | 2-phenoxyaniline |
| InChI Key | NMFFUUFPJJOWHK-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO |
5-Bromo-2-hydroxybenzophenone 98.0+%, TCI America™
CAS: 55082-33-2 Molecular Formula: C13H9BrO2 Molecular Weight (g/mol): 277.117 MDL Number: MFCD00525062 InChI Key: IVIICRNXAGUXLR-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxybenzophenone,5-bromo-2-hydroxyphenyl phenyl methanone,2-benzoyl-4-bromophenol,5-bromo-2-hydroxyphenyl-phenylmethanone,acmc-209lkx,5-bromo-2-hydroxy-benzophenone,5-bromo-2-hydroxyphenyl phenyl ketone,methanone, 5-bromo-2-hydroxyphenyl phenyl,5-bromo-2-hydroxy-phenyl-phenyl-methanone PubChem CID: 229009 IUPAC Name: (5-bromo-2-hydroxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)O
| PubChem CID | 229009 |
|---|---|
| CAS | 55082-33-2 |
| Molecular Weight (g/mol) | 277.117 |
| MDL Number | MFCD00525062 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)O |
| Synonym | 5-bromo-2-hydroxybenzophenone,5-bromo-2-hydroxyphenyl phenyl methanone,2-benzoyl-4-bromophenol,5-bromo-2-hydroxyphenyl-phenylmethanone,acmc-209lkx,5-bromo-2-hydroxy-benzophenone,5-bromo-2-hydroxyphenyl phenyl ketone,methanone, 5-bromo-2-hydroxyphenyl phenyl,5-bromo-2-hydroxy-phenyl-phenyl-methanone |
| IUPAC Name | (5-bromo-2-hydroxyphenyl)-phenylmethanone |
| InChI Key | IVIICRNXAGUXLR-UHFFFAOYSA-N |
| Molecular Formula | C13H9BrO2 |
2-Methoxy-6-methylaniline 98.0+%, TCI America™
CAS: 50868-73-0 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00075455 InChI Key: HKOJYPPTIPJZAZ-UHFFFAOYSA-N Synonym: 6-Methoxy-o-toluidine, 2-Amino-1-methoxy-3-methylbenzene PubChem CID: 459249 IUPAC Name: 2-methoxy-6-methylaniline SMILES: COC1=CC=CC(C)=C1N
| PubChem CID | 459249 |
|---|---|
| CAS | 50868-73-0 |
| Molecular Weight (g/mol) | 137.18 |
| MDL Number | MFCD00075455 |
| SMILES | COC1=CC=CC(C)=C1N |
| Synonym | 6-Methoxy-o-toluidine, 2-Amino-1-methoxy-3-methylbenzene |
| IUPAC Name | 2-methoxy-6-methylaniline |
| InChI Key | HKOJYPPTIPJZAZ-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
2-Bromo-5-fluorobenzaldehyde 95.0+%, TCI America™
CAS: 94569-84-3 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00142872 InChI Key: CJUCIKJLMFVWIS-UHFFFAOYSA-N Synonym: benzaldehyde, 2-bromo-5-fluoro,2-bromo-5-fluorobenzaldhyde,5-fluoro-2-bromo benzaldehyde,2-bromo-5-fluoro-benzaldehyde,pubchem1418,acmc-209rsk,ksc494g0d,2-bromo-5-fluoro benzaldehyde,2-bromo-5-fluorobenzaldehyde PubChem CID: 2773321 IUPAC Name: 2-bromo-5-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)Br
| PubChem CID | 2773321 |
|---|---|
| CAS | 94569-84-3 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00142872 |
| SMILES | C1=CC(=C(C=C1F)C=O)Br |
| Synonym | benzaldehyde, 2-bromo-5-fluoro,2-bromo-5-fluorobenzaldhyde,5-fluoro-2-bromo benzaldehyde,2-bromo-5-fluoro-benzaldehyde,pubchem1418,acmc-209rsk,ksc494g0d,2-bromo-5-fluoro benzaldehyde,2-bromo-5-fluorobenzaldehyde |
| IUPAC Name | 2-bromo-5-fluorobenzaldehyde |
| InChI Key | CJUCIKJLMFVWIS-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
4-Chlorophenylacetone 97.0+%, TCI America™
CAS: 5586-88-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045214 InChI Key: WEJRYKSUUFKMBC-UHFFFAOYSA-N Synonym: 4-chlorophenylacetone,1-4-chlorophenyl acetone,1-4-chlorophenyl propan-2-one,1-p-chlorophenyl acetone,1-4-chloro-phenyl-propan-2-one,p-chlorophenyl acetone,2-propanone, 1-4-chlorophenyl,p-chlorophenylacetone,4-chlorophenyl acetone PubChem CID: 79699 IUPAC Name: 1-(4-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(Cl)C=C1
| PubChem CID | 79699 |
|---|---|
| CAS | 5586-88-9 |
| Molecular Weight (g/mol) | 168.62 |
| MDL Number | MFCD00045214 |
| SMILES | CC(=O)CC1=CC=C(Cl)C=C1 |
| Synonym | 4-chlorophenylacetone,1-4-chlorophenyl acetone,1-4-chlorophenyl propan-2-one,1-p-chlorophenyl acetone,1-4-chloro-phenyl-propan-2-one,p-chlorophenyl acetone,2-propanone, 1-4-chlorophenyl,p-chlorophenylacetone,4-chlorophenyl acetone |
| IUPAC Name | 1-(4-chlorophenyl)propan-2-one |
| InChI Key | WEJRYKSUUFKMBC-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO |
2-Amino-3-methylbenzoic Acid 98.0+%, TCI America™
CAS: 4389-45-1 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 InChI Key: WNAJXPYVTFYEST-UHFFFAOYSA-N Synonym: 3-methylanthranilic acid,2-amino-3-methyl-benzoic acid,2-amino-3-methylbenzoicacid,3-methyl-2-aminobenzoic acid,benzoic acid, 2-amino-3-methyl,2-amino-m-toluic acid,2-amino-3-methyl benzoic acid,m-toluic acid, 2-amino,unii-8rgx6sqe9n,2-amino-3-methylbenzoate PubChem CID: 78101 ChEBI: CHEBI:80574 IUPAC Name: 2-amino-3-methylbenzoic acid SMILES: CC1=CC=CC(=C1N)C(=O)O
| PubChem CID | 78101 |
|---|---|
| CAS | 4389-45-1 |
| Molecular Weight (g/mol) | 151.165 |
| ChEBI | CHEBI:80574 |
| SMILES | CC1=CC=CC(=C1N)C(=O)O |
| Synonym | 3-methylanthranilic acid,2-amino-3-methyl-benzoic acid,2-amino-3-methylbenzoicacid,3-methyl-2-aminobenzoic acid,benzoic acid, 2-amino-3-methyl,2-amino-m-toluic acid,2-amino-3-methyl benzoic acid,m-toluic acid, 2-amino,unii-8rgx6sqe9n,2-amino-3-methylbenzoate |
| IUPAC Name | 2-amino-3-methylbenzoic acid |
| InChI Key | WNAJXPYVTFYEST-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
2,4,5-Trimethylbenzophenone 95.0+%, TCI America™
CAS: 52890-52-5 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 InChI Key: FTPZYWUJDVZEIE-UHFFFAOYSA-N PubChem CID: 14907151 IUPAC Name: phenyl-(2,4,5-trimethylphenyl)methanone SMILES: CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)C)C
| PubChem CID | 14907151 |
|---|---|
| CAS | 52890-52-5 |
| Molecular Weight (g/mol) | 224.303 |
| SMILES | CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)C)C |
| IUPAC Name | phenyl-(2,4,5-trimethylphenyl)methanone |
| InChI Key | FTPZYWUJDVZEIE-UHFFFAOYSA-N |
| Molecular Formula | C16H16O |
3'-Nitroacetanilide 98.0+%, TCI America™
CAS: 122-28-1 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.163 MDL Number: MFCD00017015 InChI Key: KFTYNYHJHKCRKU-UHFFFAOYSA-N Synonym: n-3-nitrophenyl acetamide,3'-nitroacetanilide,m-nitroacetanilide,3-nitroacetanilide,acetamide, n-3-nitrophenyl,n-acetyl-m-nitroaniline,3-nitro-n-acetylaniline,acetanilide, 3'-nitro,unii-qgh8s22nbp,qgh8s22nbp PubChem CID: 31206 IUPAC Name: N-(3-nitrophenyl)acetamide SMILES: CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
| PubChem CID | 31206 |
|---|---|
| CAS | 122-28-1 |
| Molecular Weight (g/mol) | 180.163 |
| MDL Number | MFCD00017015 |
| SMILES | CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
| Synonym | n-3-nitrophenyl acetamide,3'-nitroacetanilide,m-nitroacetanilide,3-nitroacetanilide,acetamide, n-3-nitrophenyl,n-acetyl-m-nitroaniline,3-nitro-n-acetylaniline,acetanilide, 3'-nitro,unii-qgh8s22nbp,qgh8s22nbp |
| IUPAC Name | N-(3-nitrophenyl)acetamide |
| InChI Key | KFTYNYHJHKCRKU-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3 |
4-Anilino-1,1':4',1″-terphenyl 98.0+%, TCI America™
CAS: 897671-81-7 Molecular Formula: C24H19N Molecular Weight (g/mol): 321.423 InChI Key: VWXSLLOSYCKNCF-UHFFFAOYSA-N Synonym: 4-Anilino-p-terphenyl PubChem CID: 17826786 IUPAC Name: N-phenyl-4-(4-phenylphenyl)aniline SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=CC=C4
| PubChem CID | 17826786 |
|---|---|
| CAS | 897671-81-7 |
| Molecular Weight (g/mol) | 321.423 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=CC=C4 |
| Synonym | 4-Anilino-p-terphenyl |
| IUPAC Name | N-phenyl-4-(4-phenylphenyl)aniline |
| InChI Key | VWXSLLOSYCKNCF-UHFFFAOYSA-N |
| Molecular Formula | C24H19N |
Pentafluoro(phenoxy)cyclotriphosphazene 98.0+%, TCI America™
CAS: 33027-68-8 Molecular Formula: C6H5F5N3OP3 Molecular Weight (g/mol): 323.039 InChI Key: XNZZEQCBAGUFMT-UHFFFAOYSA-N Synonym: 2,4,4,6,6-Pentafluoro-2-phenoxy-1,3,5,2,4,6-triazatriphosphorine PubChem CID: 23419251 IUPAC Name: 2,2,4,4,6-pentafluoro-6-phenoxy-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene SMILES: C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(F)F)(F)F)F
| PubChem CID | 23419251 |
|---|---|
| CAS | 33027-68-8 |
| Molecular Weight (g/mol) | 323.039 |
| SMILES | C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(F)F)(F)F)F |
| Synonym | 2,4,4,6,6-Pentafluoro-2-phenoxy-1,3,5,2,4,6-triazatriphosphorine |
| IUPAC Name | 2,2,4,4,6-pentafluoro-6-phenoxy-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene |
| InChI Key | XNZZEQCBAGUFMT-UHFFFAOYSA-N |
| Molecular Formula | C6H5F5N3OP3 |
| PubChem CID | 23134177 |
|---|---|
| CAS | 851335-07-4 |
| MDL Number | MFCD08458473 |
| Color | White |
| Physical Form | Crystalline Powder |
| Synonym | 4-Carboxy-2-fluorobenzeneboronic Acid |
| TSCA | No |
| InChI Key | TVNVDRMGOOLVOX-UHFFFAOYSA-N |
| Molecular Formula | C7H6BFO4 |
| Formula Weight | 183.93 |
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 |
2-Iodo-5-methylaniline 98.0+%, TCI America™
CAS: 13194-69-9 Molecular Formula: C7H8IN Molecular Weight (g/mol): 233.052 MDL Number: MFCD00833395 InChI Key: KXPBTNCFONSVIA-UHFFFAOYSA-N Synonym: 3-Amino-4-iodotoluene PubChem CID: 2736659 IUPAC Name: 2-iodo-5-methylaniline SMILES: CC1=CC(=C(C=C1)I)N
| PubChem CID | 2736659 |
|---|---|
| CAS | 13194-69-9 |
| Molecular Weight (g/mol) | 233.052 |
| MDL Number | MFCD00833395 |
| SMILES | CC1=CC(=C(C=C1)I)N |
| Synonym | 3-Amino-4-iodotoluene |
| IUPAC Name | 2-iodo-5-methylaniline |
| InChI Key | KXPBTNCFONSVIA-UHFFFAOYSA-N |
| Molecular Formula | C7H8IN |