Benzene and substituted derivatives
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Biphenyl-4,4'-dicarbonitrile, 98%
CAS: 1591-30-6 Molecular Formula: C14H8N2 Molecular Weight (g/mol): 204.232 MDL Number: MFCD00013805 InChI Key: KAXYYLCSSXFXKR-UHFFFAOYSA-N Synonym: 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile PubChem CID: 15321 IUPAC Name: 4-(4-cyanophenyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
| PubChem CID | 15321 |
|---|---|
| CAS | 1591-30-6 |
| Molecular Weight (g/mol) | 204.232 |
| MDL Number | MFCD00013805 |
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N |
| Synonym | 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile |
| IUPAC Name | 4-(4-cyanophenyl)benzonitrile |
| InChI Key | KAXYYLCSSXFXKR-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2 |
4-[4-(4'-Chloro-2-biphenylylmethyl)-1-piperazinyl]benzoic acid, 97%
CAS: 916204-05-2 Molecular Formula: C24H23ClN2O2 Molecular Weight (g/mol): 406.91 MDL Number: MFCD16251290 InChI Key: FSHGEKXJPYDBSO-UHFFFAOYSA-N Synonym: 4-4-4'-chlorobiphenyl-2-ylmethyl piperazin-1-yl benzoic acid,4-4-4'-chloro-1,1'-biphenyl-2-yl methyl piperazin-1-yl benzoic acid,4-4-4'-chlorobiphenyl-2-yl methyl piperazin-1-yl benzoic acid,4-4-4'-chloro-2-biphenylylmethyl-1-piperazinyl benzoic acid,4-4-4'-chloro-1,1'-biphenyl-2-yl methyl-1-piperazinyl benzoic acid,4-4-4'-chloro 1,1'-biphenyl-2-yl methyl-1-piperazinyl benzoic acid,4-4-4'-chloro 1,1'-biphenyl-2-yl methyl piperazin-1-yl benzoic acid,4-4-4-chloro-1,1-biphenyl-2-yl methyl piperazin-1-yl benzoic acid PubChem CID: 53434985 IUPAC Name: 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)N1CCN(CC2=CC=CC=C2C2=CC=C(Cl)C=C2)CC1
| PubChem CID | 53434985 |
|---|---|
| CAS | 916204-05-2 |
| Molecular Weight (g/mol) | 406.91 |
| MDL Number | MFCD16251290 |
| SMILES | OC(=O)C1=CC=C(C=C1)N1CCN(CC2=CC=CC=C2C2=CC=C(Cl)C=C2)CC1 |
| Synonym | 4-4-4'-chlorobiphenyl-2-ylmethyl piperazin-1-yl benzoic acid,4-4-4'-chloro-1,1'-biphenyl-2-yl methyl piperazin-1-yl benzoic acid,4-4-4'-chlorobiphenyl-2-yl methyl piperazin-1-yl benzoic acid,4-4-4'-chloro-2-biphenylylmethyl-1-piperazinyl benzoic acid,4-4-4'-chloro-1,1'-biphenyl-2-yl methyl-1-piperazinyl benzoic acid,4-4-4'-chloro 1,1'-biphenyl-2-yl methyl-1-piperazinyl benzoic acid,4-4-4'-chloro 1,1'-biphenyl-2-yl methyl piperazin-1-yl benzoic acid,4-4-4-chloro-1,1-biphenyl-2-yl methyl piperazin-1-yl benzoic acid |
| IUPAC Name | 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzoic acid |
| InChI Key | FSHGEKXJPYDBSO-UHFFFAOYSA-N |
| Molecular Formula | C24H23ClN2O2 |
4,4'-Diaminobiphenyl-2,2'-disulfonic acid hydrate, cont. up to 30% water
CAS: 117-61-3 Molecular Formula: C12H12N2O6S2 Molecular Weight (g/mol): 344.36 MDL Number: MFCD00041885 InChI Key: MBJAPGAZEWPEFB-UHFFFAOYSA-N Synonym: 2,2'-benzidinedisulfonic acid,2,2'-disulfobenzidine,benzidine-2,2'-disulfonic acid,6,6'-bimetanilic acid,4,4'-diaminobiphenyl-2,2'-disulfonic acid,benzidine-2,2'-disulphonic acid,4,4'-diamino-1,1'-biphenyl-2,2'-disulfonic acid,unii-alf643n2eq,benzidine, 2,2'-disulfo,4,4'-diamino-2,2'-biphenyldisulfonic acid PubChem CID: 8337 IUPAC Name: 5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid SMILES: NC1=CC=C(C2=CC=C(N)C=C2S(O)(=O)=O)C(=C1)S(O)(=O)=O
| PubChem CID | 8337 |
|---|---|
| CAS | 117-61-3 |
| Molecular Weight (g/mol) | 344.36 |
| MDL Number | MFCD00041885 |
| SMILES | NC1=CC=C(C2=CC=C(N)C=C2S(O)(=O)=O)C(=C1)S(O)(=O)=O |
| Synonym | 2,2'-benzidinedisulfonic acid,2,2'-disulfobenzidine,benzidine-2,2'-disulfonic acid,6,6'-bimetanilic acid,4,4'-diaminobiphenyl-2,2'-disulfonic acid,benzidine-2,2'-disulphonic acid,4,4'-diamino-1,1'-biphenyl-2,2'-disulfonic acid,unii-alf643n2eq,benzidine, 2,2'-disulfo,4,4'-diamino-2,2'-biphenyldisulfonic acid |
| IUPAC Name | 5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid |
| InChI Key | MBJAPGAZEWPEFB-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O6S2 |
4-Bromo-4'-hydroxybiphenyl, 98%
CAS: 29558-77-8 Molecular Formula: C12H9BrO Molecular Weight (g/mol): 249.107 MDL Number: MFCD00059076 InChI Key: ARUBXNBYMCVENE-UHFFFAOYSA-N Synonym: 4-bromo-4'-hydroxybiphenyl,4'-bromo-1,1'-biphenyl-4-ol,4-4-bromophenyl phenol,4'-bromobiphenyl-4-ol,4-hydroxy-4'-bromobiphenyl,1,1'-biphenyl-4-ol, 4'-bromo,4-bromo-4-hydroxybiphenyl,pubchem23025 PubChem CID: 95093 IUPAC Name: 4-(4-bromophenyl)phenol SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)O
| PubChem CID | 95093 |
|---|---|
| CAS | 29558-77-8 |
| Molecular Weight (g/mol) | 249.107 |
| MDL Number | MFCD00059076 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)Br)O |
| Synonym | 4-bromo-4'-hydroxybiphenyl,4'-bromo-1,1'-biphenyl-4-ol,4-4-bromophenyl phenol,4'-bromobiphenyl-4-ol,4-hydroxy-4'-bromobiphenyl,1,1'-biphenyl-4-ol, 4'-bromo,4-bromo-4-hydroxybiphenyl,pubchem23025 |
| IUPAC Name | 4-(4-bromophenyl)phenol |
| InChI Key | ARUBXNBYMCVENE-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrO |
2-Methoxyphenylboronic acid, 97%
CAS: 5720-06-9 Molecular Formula: C7H9BO3 Molecular Weight (g/mol): 151.96 MDL Number: MFCD00236047 InChI Key: ROEQGIFOWRQYHD-UHFFFAOYSA-N SMILES: COC1=CC=CC=C1B(O)O
| CAS | 5720-06-9 |
|---|---|
| Molecular Weight (g/mol) | 151.96 |
| MDL Number | MFCD00236047 |
| SMILES | COC1=CC=CC=C1B(O)O |
| InChI Key | ROEQGIFOWRQYHD-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
4-Cyanobiphenyl, 95%
CAS: 2920-38-9 Molecular Formula: C13H9N Molecular Weight (g/mol): 179.22 MDL Number: MFCD00001821 InChI Key: BPMBNLJJRKCCRT-UHFFFAOYSA-N Synonym: 4-cyanobiphenyl,1,1'-biphenyl-4-carbonitrile,4-biphenylcarbonitrile,p-phenylbenzonitrile,p-cyanobiphenyl,biphenyl-4-carbonitrile,4-phenylbenzenecarbonitrile,4-biphenylcarboxylic acid nitrile,4-cyanodiphenyl PubChem CID: 18021 IUPAC Name: 4-phenylbenzonitrile SMILES: N#CC1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 18021 |
|---|---|
| CAS | 2920-38-9 |
| Molecular Weight (g/mol) | 179.22 |
| MDL Number | MFCD00001821 |
| SMILES | N#CC1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-cyanobiphenyl,1,1'-biphenyl-4-carbonitrile,4-biphenylcarbonitrile,p-phenylbenzonitrile,p-cyanobiphenyl,biphenyl-4-carbonitrile,4-phenylbenzenecarbonitrile,4-biphenylcarboxylic acid nitrile,4-cyanodiphenyl |
| IUPAC Name | 4-phenylbenzonitrile |
| InChI Key | BPMBNLJJRKCCRT-UHFFFAOYSA-N |
| Molecular Formula | C13H9N |
4-Bromo-2-methylbiphenyl, 98%
CAS: 5002-26-6 Molecular Formula: C13H11Br Molecular Weight (g/mol): 247.135 MDL Number: MFCD03093069 InChI Key: ZBNARPVMXYNXQQ-UHFFFAOYSA-N Synonym: 4-bromo-2-methylbiphenyl,4-bromo-2-methyl-1,1'-biphenyl,acmc-1asrj,2-methyl-4-bromobiphenyl,4-bromo-2-methyl-biphenyl,3-methyl-4-phenylbromobenzene,4-bromanyl-2-methyl-1-phenyl-benzene PubChem CID: 9964845 IUPAC Name: 4-bromo-2-methyl-1-phenylbenzene SMILES: CC1=C(C=CC(=C1)Br)C2=CC=CC=C2
| PubChem CID | 9964845 |
|---|---|
| CAS | 5002-26-6 |
| Molecular Weight (g/mol) | 247.135 |
| MDL Number | MFCD03093069 |
| SMILES | CC1=C(C=CC(=C1)Br)C2=CC=CC=C2 |
| Synonym | 4-bromo-2-methylbiphenyl,4-bromo-2-methyl-1,1'-biphenyl,acmc-1asrj,2-methyl-4-bromobiphenyl,4-bromo-2-methyl-biphenyl,3-methyl-4-phenylbromobenzene,4-bromanyl-2-methyl-1-phenyl-benzene |
| IUPAC Name | 4-bromo-2-methyl-1-phenylbenzene |
| InChI Key | ZBNARPVMXYNXQQ-UHFFFAOYSA-N |
| Molecular Formula | C13H11Br |
2-Bromo-1,4-difluorobenzene, 98%
CAS: 399-94-0 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.991 MDL Number: MFCD00000345 InChI Key: XCRCSPKQEDMVBO-UHFFFAOYSA-N Synonym: 1-bromo-2,5-difluorobenzene,2,5-difluorobromobenzene,benzene, 2-bromo-1,4-difluoro,1,4-difluoro-2-bromobenzene,2-bromo-1,4-difluoro-benzene,fr df be,pubchem2302,acmc-1ad5i,1-bromo-2,5 difluorobenzene,2,5-difluoro-1-bromobenzene PubChem CID: 67862 IUPAC Name: 2-bromo-1,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)Br)F
| PubChem CID | 67862 |
|---|---|
| CAS | 399-94-0 |
| Molecular Weight (g/mol) | 192.991 |
| MDL Number | MFCD00000345 |
| SMILES | C1=CC(=C(C=C1F)Br)F |
| Synonym | 1-bromo-2,5-difluorobenzene,2,5-difluorobromobenzene,benzene, 2-bromo-1,4-difluoro,1,4-difluoro-2-bromobenzene,2-bromo-1,4-difluoro-benzene,fr df be,pubchem2302,acmc-1ad5i,1-bromo-2,5 difluorobenzene,2,5-difluoro-1-bromobenzene |
| IUPAC Name | 2-bromo-1,4-difluorobenzene |
| InChI Key | XCRCSPKQEDMVBO-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
3,4-Difluorobenzylzinc bromide, 0.5M in THF, packaged under Argon in resealable ChemSeal™ bottles
CAS: 307496-34-0 Molecular Formula: C7H5BrF2Zn Molecular Weight (g/mol): 272.398 MDL Number: MFCD01311420 InChI Key: NXKQWSPHMLPJIC-UHFFFAOYSA-M Synonym: zinc 2+ ion 3,4-difluorophenyl methanide bromide PubChem CID: 57371133 SMILES: [CH2-]C1=CC(=C(C=C1)F)F.[Zn+2].[Br-]
| PubChem CID | 57371133 |
|---|---|
| CAS | 307496-34-0 |
| Molecular Weight (g/mol) | 272.398 |
| MDL Number | MFCD01311420 |
| SMILES | [CH2-]C1=CC(=C(C=C1)F)F.[Zn+2].[Br-] |
| Synonym | zinc 2+ ion 3,4-difluorophenyl methanide bromide |
| InChI Key | NXKQWSPHMLPJIC-UHFFFAOYSA-M |
| Molecular Formula | C7H5BrF2Zn |
2-Bromofluorobenzene, 99%
CAS: 1072-85-1 Molecular Formula: C6H4BrF Molecular Weight (g/mol): 175 MDL Number: MFCD00000282 InChI Key: IPWBFGUBXWMIPR-UHFFFAOYSA-N Synonym: 2-bromofluorobenzene,o-bromofluorobenzene,2-fluorobromobenzene,o-fluorobromobenzene,2-bromfluorbenzen,benzene, 1-bromo-2-fluoro,1-fluoro-2-bromobenzene,benzene, 1-fluoro-2-bromo,ofbb,benzene, bromofluoro PubChem CID: 61259 IUPAC Name: 1-bromo-2-fluorobenzene SMILES: C1=CC=C(C(=C1)F)Br
| PubChem CID | 61259 |
|---|---|
| CAS | 1072-85-1 |
| Molecular Weight (g/mol) | 175 |
| MDL Number | MFCD00000282 |
| SMILES | C1=CC=C(C(=C1)F)Br |
| Synonym | 2-bromofluorobenzene,o-bromofluorobenzene,2-fluorobromobenzene,o-fluorobromobenzene,2-bromfluorbenzen,benzene, 1-bromo-2-fluoro,1-fluoro-2-bromobenzene,benzene, 1-fluoro-2-bromo,ofbb,benzene, bromofluoro |
| IUPAC Name | 1-bromo-2-fluorobenzene |
| InChI Key | IPWBFGUBXWMIPR-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrF |
2,6-Difluorophenyl isocyanate, 97%
CAS: 65295-69-4 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.104 MDL Number: MFCD00001998 InChI Key: YXHDLKWTPVMIOH-UHFFFAOYSA-N Synonym: 2,6-difluorophenyl isocyanate,2,6-difluorophenylisocyanate,benzene, 1,3-difluoro-2-isocyanato,2,6-difluorobenzenisocyanate,timtec-bb sbb006664,pubchem5023,acmc-1bcwu,2,6 difluorophenylisocyanate,2,6-difluoro phenyl isocyanate,1-isocyanato-2,6-difluoro benzene PubChem CID: 522162 IUPAC Name: 1,3-difluoro-2-isocyanatobenzene SMILES: C1=CC(=C(C(=C1)F)N=C=O)F
| PubChem CID | 522162 |
|---|---|
| CAS | 65295-69-4 |
| Molecular Weight (g/mol) | 155.104 |
| MDL Number | MFCD00001998 |
| SMILES | C1=CC(=C(C(=C1)F)N=C=O)F |
| Synonym | 2,6-difluorophenyl isocyanate,2,6-difluorophenylisocyanate,benzene, 1,3-difluoro-2-isocyanato,2,6-difluorobenzenisocyanate,timtec-bb sbb006664,pubchem5023,acmc-1bcwu,2,6 difluorophenylisocyanate,2,6-difluoro phenyl isocyanate,1-isocyanato-2,6-difluoro benzene |
| IUPAC Name | 1,3-difluoro-2-isocyanatobenzene |
| InChI Key | YXHDLKWTPVMIOH-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2NO |
4-Fluoro-o-phenylenediamine, 97%
CAS: 367-31-7 Molecular Formula: C6H7FN2 Molecular Weight (g/mol): 126.134 MDL Number: MFCD00042228 InChI Key: KWEWNOOZQVJONF-UHFFFAOYSA-N Synonym: 1,2-diamino-4-fluorobenzene,4-fluoro-1,2-phenylenediamine,3,4-diaminofluorobenzene,4-fluoro-o-phenylenediamine,2-amino-4-fluoroaniline,4-fluoro-1,2-diaminobenzene,3,4-diamino-1-fluorobenzene,5-fluoro-1,2-diaminobenzene,4-fluoro-1,2-benzenediamine,1,2-benzenediamine, 4-fluoro PubChem CID: 164584 IUPAC Name: 4-fluorobenzene-1,2-diamine SMILES: C1=CC(=C(C=C1F)N)N
| PubChem CID | 164584 |
|---|---|
| CAS | 367-31-7 |
| Molecular Weight (g/mol) | 126.134 |
| MDL Number | MFCD00042228 |
| SMILES | C1=CC(=C(C=C1F)N)N |
| Synonym | 1,2-diamino-4-fluorobenzene,4-fluoro-1,2-phenylenediamine,3,4-diaminofluorobenzene,4-fluoro-o-phenylenediamine,2-amino-4-fluoroaniline,4-fluoro-1,2-diaminobenzene,3,4-diamino-1-fluorobenzene,5-fluoro-1,2-diaminobenzene,4-fluoro-1,2-benzenediamine,1,2-benzenediamine, 4-fluoro |
| IUPAC Name | 4-fluorobenzene-1,2-diamine |
| InChI Key | KWEWNOOZQVJONF-UHFFFAOYSA-N |
| Molecular Formula | C6H7FN2 |
1-Fluoro-3,5-dimethoxybenzene, 98%
CAS: 52189-63-6 Molecular Formula: C8H9FO2 Molecular Weight (g/mol): 156.16 MDL Number: MFCD00012445 InChI Key: IWFKMNAEFPEIOY-UHFFFAOYSA-N Synonym: 1,3-dimethoxy-5-fluorobenzene,benzene, 1-fluoro-3,5-dimethoxy,3,5-dimethoxyfluorobenzene,pubchem3049,acmc-209wz0,3,5-dimethoxy fluorobenzene,ksc595k6b,3,5-dimethoxy-1-fluorobenzene,1-fluoro-3,5-dimethoxy benzene,benzene,1-fluoro-3,5-dimethoxy PubChem CID: 2774257 IUPAC Name: 1-fluoro-3,5-dimethoxybenzene SMILES: COC1=CC(OC)=CC(F)=C1
| PubChem CID | 2774257 |
|---|---|
| CAS | 52189-63-6 |
| Molecular Weight (g/mol) | 156.16 |
| MDL Number | MFCD00012445 |
| SMILES | COC1=CC(OC)=CC(F)=C1 |
| Synonym | 1,3-dimethoxy-5-fluorobenzene,benzene, 1-fluoro-3,5-dimethoxy,3,5-dimethoxyfluorobenzene,pubchem3049,acmc-209wz0,3,5-dimethoxy fluorobenzene,ksc595k6b,3,5-dimethoxy-1-fluorobenzene,1-fluoro-3,5-dimethoxy benzene,benzene,1-fluoro-3,5-dimethoxy |
| IUPAC Name | 1-fluoro-3,5-dimethoxybenzene |
| InChI Key | IWFKMNAEFPEIOY-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO2 |
1-Bromo-2,4-difluorobenzene, 98+%
CAS: 348-57-2 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00000330 InChI Key: MGHBDQZXPCTTIH-UHFFFAOYSA-N Synonym: 2,4-difluorobromobenzene,benzene, 1-bromo-2,4-difluoro,1-bromo-2,4-difluoro-benzene,bromo-2,4-difluorobenzene,2,4-difluoro-1-bromobenzene,attercop-chm at130629,fr cf de,pubchem2301,2.4-difluorobromobenzene,acmc-1adm3 PubChem CID: 67674 IUPAC Name: 1-bromo-2,4-difluorobenzene SMILES: FC1=CC=C(Br)C(F)=C1
| PubChem CID | 67674 |
|---|---|
| CAS | 348-57-2 |
| Molecular Weight (g/mol) | 192.99 |
| MDL Number | MFCD00000330 |
| SMILES | FC1=CC=C(Br)C(F)=C1 |
| Synonym | 2,4-difluorobromobenzene,benzene, 1-bromo-2,4-difluoro,1-bromo-2,4-difluoro-benzene,bromo-2,4-difluorobenzene,2,4-difluoro-1-bromobenzene,attercop-chm at130629,fr cf de,pubchem2301,2.4-difluorobromobenzene,acmc-1adm3 |
| IUPAC Name | 1-bromo-2,4-difluorobenzene |
| InChI Key | MGHBDQZXPCTTIH-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |