Benzene and substituted derivatives
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2,2'-Bis(trifluoromethyl)benzidine 98.0+%, TCI America™
CAS: 341-58-2 Molecular Formula: C14H10F6N2 Molecular Weight (g/mol): 320.24 MDL Number: MFCD00190155 InChI Key: NVKGJHAQGWCWDI-UHFFFAOYSA-N Synonym: 2,2'-bis trifluoromethyl benzidine,2,2'-bis trifluoromethyl-1,1'-biphenyl-4,4'-diamine,4-4-amino-2-trifluoromethyl phenyl-3-trifluoromethyl aniline,2,2'-bis trifluoromethyl-4,4'-diaminobiphenyl,2,2'-bis-trifluoromethyl-biphenyl-4,4'-diamine,tfmb,2,2'-bis trifluoromethyl-4,4'-biphenyldiamine,4,4'-diamino-2,2'-bis trifluoromethyl biphenyl,1,1'-biphenyl-4,4'-diamine, 2,2'-bis trifluoromethyl,4-4-azanyl-2-trifluoromethyl phenyl-3-trifluoromethyl aniline PubChem CID: 629349 IUPAC Name: 2,2'-bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine SMILES: NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 629349 |
|---|---|
| CAS | 341-58-2 |
| Molecular Weight (g/mol) | 320.24 |
| MDL Number | MFCD00190155 |
| SMILES | NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 2,2'-bis trifluoromethyl benzidine,2,2'-bis trifluoromethyl-1,1'-biphenyl-4,4'-diamine,4-4-amino-2-trifluoromethyl phenyl-3-trifluoromethyl aniline,2,2'-bis trifluoromethyl-4,4'-diaminobiphenyl,2,2'-bis-trifluoromethyl-biphenyl-4,4'-diamine,tfmb,2,2'-bis trifluoromethyl-4,4'-biphenyldiamine,4,4'-diamino-2,2'-bis trifluoromethyl biphenyl,1,1'-biphenyl-4,4'-diamine, 2,2'-bis trifluoromethyl,4-4-azanyl-2-trifluoromethyl phenyl-3-trifluoromethyl aniline |
| IUPAC Name | 2,2'-bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine |
| InChI Key | NVKGJHAQGWCWDI-UHFFFAOYSA-N |
| Molecular Formula | C14H10F6N2 |
alpha,alpha'-Bis(4-aminophenyl)-1,4-diisopropylbenzene 99.0+%, TCI America™
CAS: 2716-10-1 Molecular Formula: C24H28N2 Molecular Weight (g/mol): 344.50 MDL Number: MFCD00191313 InChI Key: HESXPOICBNWMPI-UHFFFAOYSA-N PubChem CID: 75930 IUPAC Name: 4-[2-[4-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
| PubChem CID | 75930 |
|---|---|
| CAS | 2716-10-1 |
| Molecular Weight (g/mol) | 344.50 |
| MDL Number | MFCD00191313 |
| SMILES | CC(C)(C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)N)C3=CC=C(C=C3)N |
| IUPAC Name | 4-[2-[4-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline |
| InChI Key | HESXPOICBNWMPI-UHFFFAOYSA-N |
| Molecular Formula | C24H28N2 |
4-Bromo-3-methylaniline 98.0+%, TCI America™
CAS: 6933-10-4 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00007828 InChI Key: MMEGELSFOYDPQW-UHFFFAOYSA-N Synonym: 4-bromo-m-toluidine,5-amino-2-bromotoluene,3-methyl-4-bromoaniline,benzenamine, 4-bromo-3-methyl,4-bromo-3-methyl-phenylamine,4-bromo-3-methyl-aniline,4-bromo-3-methylbenzenamine,4-bromo-3-methylphenylamine,pubchem4339,4-bromo3-methylaniline PubChem CID: 23359 IUPAC Name: 4-bromo-3-methylaniline SMILES: CC1=C(C=CC(=C1)N)Br
| PubChem CID | 23359 |
|---|---|
| CAS | 6933-10-4 |
| Molecular Weight (g/mol) | 186.05 |
| MDL Number | MFCD00007828 |
| SMILES | CC1=C(C=CC(=C1)N)Br |
| Synonym | 4-bromo-m-toluidine,5-amino-2-bromotoluene,3-methyl-4-bromoaniline,benzenamine, 4-bromo-3-methyl,4-bromo-3-methyl-phenylamine,4-bromo-3-methyl-aniline,4-bromo-3-methylbenzenamine,4-bromo-3-methylphenylamine,pubchem4339,4-bromo3-methylaniline |
| IUPAC Name | 4-bromo-3-methylaniline |
| InChI Key | MMEGELSFOYDPQW-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |
1,1-Bis(4-hydroxyphenyl)cyclohexane 98.0+%, TCI America™
CAS: 843-55-0 Molecular Formula: C18H20O2 Molecular Weight (g/mol): 268.356 MDL Number: MFCD00019341 InChI Key: SDDLEVPIDBLVHC-UHFFFAOYSA-N PubChem CID: 232446 IUPAC Name: 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol SMILES: C1CCC(CC1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
| PubChem CID | 232446 |
|---|---|
| CAS | 843-55-0 |
| Molecular Weight (g/mol) | 268.356 |
| MDL Number | MFCD00019341 |
| SMILES | C1CCC(CC1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O |
| IUPAC Name | 4-[1-(4-hydroxyphenyl)cyclohexyl]phenol |
| InChI Key | SDDLEVPIDBLVHC-UHFFFAOYSA-N |
| Molecular Formula | C18H20O2 |
4-Chlorobutyl Benzoate 98.0+%, TCI America™
CAS: 946-02-1 Molecular Formula: C11H13ClO2 Molecular Weight (g/mol): 212.673 MDL Number: MFCD00019005 InChI Key: XFFQVVCNZAYQSJ-UHFFFAOYSA-N Synonym: Benzoic Acid 4-Chlorobutyl Ester PubChem CID: 136761 IUPAC Name: 4-chlorobutyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCCCCCl
| PubChem CID | 136761 |
|---|---|
| CAS | 946-02-1 |
| Molecular Weight (g/mol) | 212.673 |
| MDL Number | MFCD00019005 |
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCCl |
| Synonym | Benzoic Acid 4-Chlorobutyl Ester |
| IUPAC Name | 4-chlorobutyl benzoate |
| InChI Key | XFFQVVCNZAYQSJ-UHFFFAOYSA-N |
| Molecular Formula | C11H13ClO2 |
(R)-(+)-BINAP, TCI America™
CAS: 76189-55-4 Molecular Formula: C44H32P2 Molecular Weight (g/mol): 622.69 MDL Number: MFCD00010805 InChI Key: MUALRAIOVNYAIW-UHFFFAOYSA-N Synonym: binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene PubChem CID: 634876 IUPAC Name: [2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 634876 |
|---|---|
| CAS | 76189-55-4 |
| Molecular Weight (g/mol) | 622.69 |
| MDL Number | MFCD00010805 |
| SMILES | C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene |
| IUPAC Name | [2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane |
| InChI Key | MUALRAIOVNYAIW-UHFFFAOYSA-N |
| Molecular Formula | C44H32P2 |
Bis[3,5-dibromo-4-(2-hydroxyethoxy)phenyl] Sulfone 96.0+%, TCI America™
CAS: 53714-39-9 Molecular Formula: C16H14Br4O6S Molecular Weight (g/mol): 653.958 MDL Number: MFCD00152428 InChI Key: OFBQIWFJRDGFEK-UHFFFAOYSA-N Synonym: Bis[4-(2-hydroxyethoxy)-3,5-dibromophenyl] Sulfone PubChem CID: 104566 IUPAC Name: 2-[2,6-dibromo-4-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol SMILES: C1=C(C=C(C(=C1Br)OCCO)Br)S(=O)(=O)C2=CC(=C(C(=C2)Br)OCCO)Br
| PubChem CID | 104566 |
|---|---|
| CAS | 53714-39-9 |
| Molecular Weight (g/mol) | 653.958 |
| MDL Number | MFCD00152428 |
| SMILES | C1=C(C=C(C(=C1Br)OCCO)Br)S(=O)(=O)C2=CC(=C(C(=C2)Br)OCCO)Br |
| Synonym | Bis[4-(2-hydroxyethoxy)-3,5-dibromophenyl] Sulfone |
| IUPAC Name | 2-[2,6-dibromo-4-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol |
| InChI Key | OFBQIWFJRDGFEK-UHFFFAOYSA-N |
| Molecular Formula | C16H14Br4O6S |
(S)-(-)-N-Benzyl-1-phenylethylamine 98.0+%, TCI America™
CAS: 17480-69-2 Molecular Formula: C15H24N Molecular Weight (g/mol): 218.36 MDL Number: MFCD00066325 InChI Key: UHABCGJJMSQRRP-ZDUSSCGKSA-O Synonym: s---n-benzyl-1-phenylethylamine,s---n-benzyl-alpha-methylbenzylamine,s-n-benzyl-1-phenylethanamine,s-n-benzyl-1-phenylethylamine,benzyl 1s-1-phenylethyl amine,s-n-benzyl-alpha-methylbenzylamine,s--n-benzyl-alpha-phenylethylamine,pubchem5973,n-benzyl-d-amphetamine PubChem CID: 1268085 IUPAC Name: (cyclohexylmethyl)[(1S)-1-phenylethyl]azanium SMILES: C[C@H]([NH2+]CC1CCCCC1)C1=CC=CC=C1
| PubChem CID | 1268085 |
|---|---|
| CAS | 17480-69-2 |
| Molecular Weight (g/mol) | 218.36 |
| MDL Number | MFCD00066325 |
| SMILES | C[C@H]([NH2+]CC1CCCCC1)C1=CC=CC=C1 |
| Synonym | s---n-benzyl-1-phenylethylamine,s---n-benzyl-alpha-methylbenzylamine,s-n-benzyl-1-phenylethanamine,s-n-benzyl-1-phenylethylamine,benzyl 1s-1-phenylethyl amine,s-n-benzyl-alpha-methylbenzylamine,s--n-benzyl-alpha-phenylethylamine,pubchem5973,n-benzyl-d-amphetamine |
| IUPAC Name | (cyclohexylmethyl)[(1S)-1-phenylethyl]azanium |
| InChI Key | UHABCGJJMSQRRP-ZDUSSCGKSA-O |
| Molecular Formula | C15H24N |
1-Bromo-2,5-dimethoxybenzene 97.0+%, TCI America™
CAS: 25245-34-5 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.06 MDL Number: MFCD00008355 InChI Key: DWCGNRKFLRLWCJ-UHFFFAOYSA-N PubChem CID: 91353 IUPAC Name: 2-bromo-1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C(Br)=C1
| PubChem CID | 91353 |
|---|---|
| CAS | 25245-34-5 |
| Molecular Weight (g/mol) | 217.06 |
| MDL Number | MFCD00008355 |
| SMILES | COC1=CC=C(OC)C(Br)=C1 |
| IUPAC Name | 2-bromo-1,4-dimethoxybenzene |
| InChI Key | DWCGNRKFLRLWCJ-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
1-Bromo-2,3,5,6-tetrafluorobenzene 97.0+%, TCI America™
CAS: 1559-88-2 Molecular Formula: C6HBrF4 Molecular Weight (g/mol): 228.97 MDL Number: MFCD00000308 InChI Key: YHAFCGSUIAFUCX-UHFFFAOYSA-N Synonym: 1-bromo-2,3,5,6-tetrafluorobenzene,2,3,5,6-tetrafluorobromobenzene,bromo-2,3,5,6-tetrafluorobenzene,1-bromo-2,3,5,6-tetrafluorbenzene,benzene, 3-bromo-1,2,4,5-tetrafluoro,2,3,5,6-tetrafluoro bromobenzene,2,3,5,6-tetrafluorobromo benzene,1,2,4,5-tetrafluoro-3-bromobenzene,pubchem2196,acmc-1bwvg PubChem CID: 73794 IUPAC Name: 3-bromo-1,2,4,5-tetrafluorobenzene SMILES: FC1=CC(F)=C(F)C(Br)=C1F
| PubChem CID | 73794 |
|---|---|
| CAS | 1559-88-2 |
| Molecular Weight (g/mol) | 228.97 |
| MDL Number | MFCD00000308 |
| SMILES | FC1=CC(F)=C(F)C(Br)=C1F |
| Synonym | 1-bromo-2,3,5,6-tetrafluorobenzene,2,3,5,6-tetrafluorobromobenzene,bromo-2,3,5,6-tetrafluorobenzene,1-bromo-2,3,5,6-tetrafluorbenzene,benzene, 3-bromo-1,2,4,5-tetrafluoro,2,3,5,6-tetrafluoro bromobenzene,2,3,5,6-tetrafluorobromo benzene,1,2,4,5-tetrafluoro-3-bromobenzene,pubchem2196,acmc-1bwvg |
| IUPAC Name | 3-bromo-1,2,4,5-tetrafluorobenzene |
| InChI Key | YHAFCGSUIAFUCX-UHFFFAOYSA-N |
| Molecular Formula | C6HBrF4 |
1-Bromo-3-chloro-5-fluorobenzene 98.0+%, TCI America™
CAS: 33863-76-2 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD00070747 InChI Key: GGMDFPMASIXEIR-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobromobenzene,1-bromo3-chloro-5-fluorobenzene,1-bromo-3-chloro-5-fluoro-benzene,benzene, 1-bromo-3-chloro-5-fluoro,1,3,5-fluorochlorobromobenzene,pubchem2261,acmc-209i3i,ksc494q7t,3-chloro-5-fluoro-bromobenzene,1-bromo-3-chloro-5-flurobenzene PubChem CID: 2736223 IUPAC Name: 1-bromo-3-chloro-5-fluorobenzene SMILES: C1=C(C=C(C=C1Cl)Br)F
| PubChem CID | 2736223 |
|---|---|
| CAS | 33863-76-2 |
| Molecular Weight (g/mol) | 209.442 |
| MDL Number | MFCD00070747 |
| SMILES | C1=C(C=C(C=C1Cl)Br)F |
| Synonym | 3-chloro-5-fluorobromobenzene,1-bromo3-chloro-5-fluorobenzene,1-bromo-3-chloro-5-fluoro-benzene,benzene, 1-bromo-3-chloro-5-fluoro,1,3,5-fluorochlorobromobenzene,pubchem2261,acmc-209i3i,ksc494q7t,3-chloro-5-fluoro-bromobenzene,1-bromo-3-chloro-5-flurobenzene |
| IUPAC Name | 1-bromo-3-chloro-5-fluorobenzene |
| InChI Key | GGMDFPMASIXEIR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
4-Fluoro-2-methylbenzonitrile 99.0+%, TCI America™
CAS: 147754-12-9 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 MDL Number: MFCD03095106 InChI Key: BJBXUIUJKPOZLV-UHFFFAOYSA-N Synonym: 2-methyl-4-fluorobenzonitrile,4-fluoro-2-methyl-benzonitrile,benzonitrile, 4-fluoro-2-methyl,2-cyano-5-fluorotoluene,4-fluoro-2-methylbenzenecarbonitrile,pubchem1554,intermediates-zcf02129,methyl 4-fluorobenzonitrile,4-fuoro-2-methylbenzonitrile,ksc174s6l PubChem CID: 3826055 IUPAC Name: 4-fluoro-2-methylbenzonitrile SMILES: CC1=C(C=CC(=C1)F)C#N
| PubChem CID | 3826055 |
|---|---|
| CAS | 147754-12-9 |
| Molecular Weight (g/mol) | 135.141 |
| MDL Number | MFCD03095106 |
| SMILES | CC1=C(C=CC(=C1)F)C#N |
| Synonym | 2-methyl-4-fluorobenzonitrile,4-fluoro-2-methyl-benzonitrile,benzonitrile, 4-fluoro-2-methyl,2-cyano-5-fluorotoluene,4-fluoro-2-methylbenzenecarbonitrile,pubchem1554,intermediates-zcf02129,methyl 4-fluorobenzonitrile,4-fuoro-2-methylbenzonitrile,ksc174s6l |
| IUPAC Name | 4-fluoro-2-methylbenzonitrile |
| InChI Key | BJBXUIUJKPOZLV-UHFFFAOYSA-N |
| Molecular Formula | C8H6FN |
Benzylamine Hydrobromide 98.0+%, TCI America™
CAS: 37488-40-7 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00035434 InChI Key: QJFMCHRSDOLMHA-UHFFFAOYSA-N Synonym: Benzylammonium Bromide PubChem CID: 12998568 IUPAC Name: phenylmethanamine;hydrobromide SMILES: C1=CC=C(C=C1)CN.Br
| PubChem CID | 12998568 |
|---|---|
| CAS | 37488-40-7 |
| Molecular Weight (g/mol) | 188.068 |
| MDL Number | MFCD00035434 |
| SMILES | C1=CC=C(C=C1)CN.Br |
| Synonym | Benzylammonium Bromide |
| IUPAC Name | phenylmethanamine;hydrobromide |
| InChI Key | QJFMCHRSDOLMHA-UHFFFAOYSA-N |
| Molecular Formula | C7H10BrN |
3-Bromo-2-methylbenzoic Acid 98.0+%, TCI America™
CAS: 76006-33-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00270097 InChI Key: BJGKVCKGUBYULR-UHFFFAOYSA-N Synonym: 3-bromo-o-toluic acid,2-methyl-3-bromobenzoic acid,3-bromo-2-methyl-benzoic acid,benzoic acid, 3-bromo-2-methyl,pubchem4717,bromo-methylbenzoic acid,2-bromo-6-carboxytoluene,3-bromo-2-methybenzoic acid,3-bromo-2-methylbenzoicacid,ksc377a4p PubChem CID: 2735590 IUPAC Name: 3-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC=C1Br)C(O)=O
| PubChem CID | 2735590 |
|---|---|
| CAS | 76006-33-2 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00270097 |
| SMILES | CC1=C(C=CC=C1Br)C(O)=O |
| Synonym | 3-bromo-o-toluic acid,2-methyl-3-bromobenzoic acid,3-bromo-2-methyl-benzoic acid,benzoic acid, 3-bromo-2-methyl,pubchem4717,bromo-methylbenzoic acid,2-bromo-6-carboxytoluene,3-bromo-2-methybenzoic acid,3-bromo-2-methylbenzoicacid,ksc377a4p |
| IUPAC Name | 3-bromo-2-methylbenzoic acid |
| InChI Key | BJGKVCKGUBYULR-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
N-Methylbenzylamine 98.0+%, TCI America™
CAS: 103-67-3 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008289 InChI Key: RIWRFSMVIUAEBX-UHFFFAOYSA-N Synonym: n-methylbenzylamine,methylbenzylamine,n-benzylmethylamine,benzyl methyl amine,benzenemethanamine, n-methyl,benzylmethylamine,n-methy-n-benzylamine,n-benzyl-n-methylamine,benzylamine, n-methyl,n-methyl phenyl methanamine PubChem CID: 7669 IUPAC Name: benzyl(methyl)amine SMILES: CNCC1=CC=CC=C1
| PubChem CID | 7669 |
|---|---|
| CAS | 103-67-3 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00008289 |
| SMILES | CNCC1=CC=CC=C1 |
| Synonym | n-methylbenzylamine,methylbenzylamine,n-benzylmethylamine,benzyl methyl amine,benzenemethanamine, n-methyl,benzylmethylamine,n-methy-n-benzylamine,n-benzyl-n-methylamine,benzylamine, n-methyl,n-methyl phenyl methanamine |
| IUPAC Name | benzyl(methyl)amine |
| InChI Key | RIWRFSMVIUAEBX-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |