Benzenoids
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Ethyl 2-(Triphenylphosphoranylidene)propionate 97.0+%, TCI America™
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CAS: 5717-37-3 Molecular Formula: C23H23O2P Molecular Weight (g/mol): 362.41 MDL Number: MFCD00009160 InChI Key: KZENFXVDPUMQOE-UHFFFAOYSA-N Synonym: ethyl 2-triphenylphosphoranylidene propanoate,carbethoxyethylidene triphenylphosphorane,ethyl 2-triphenylphosphoranylidene propionate,1-ethoxycarbonylethylidene triphenylphosphorane,propanoic acid, 2-triphenylphosphoranylidene-, ethyl ester,1-ethoxycarbonyl ethylidenetriphenylphosphorane,ethyl 2-triphenyl-lambda5-phosphanylidene propanoate,ethyl 2-triphenyl-$l^ 5-phosphanylidene propanoate,1-ethoxycarbonylethylethylidene triphenylphosporane,carbethoxyethylidine triphenylphosphorane PubChem CID: 79792 IUPAC Name: ethyl 2-(triphenyl-λ⁵-phosphanylidene)propanoate SMILES: CCOC(=O)C(C)=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 79792 |
|---|---|
| CAS | 5717-37-3 |
| Molecular Weight (g/mol) | 362.41 |
| MDL Number | MFCD00009160 |
| SMILES | CCOC(=O)C(C)=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ethyl 2-triphenylphosphoranylidene propanoate,carbethoxyethylidene triphenylphosphorane,ethyl 2-triphenylphosphoranylidene propionate,1-ethoxycarbonylethylidene triphenylphosphorane,propanoic acid, 2-triphenylphosphoranylidene-, ethyl ester,1-ethoxycarbonyl ethylidenetriphenylphosphorane,ethyl 2-triphenyl-lambda5-phosphanylidene propanoate,ethyl 2-triphenyl-$l^ 5-phosphanylidene propanoate,1-ethoxycarbonylethylethylidene triphenylphosporane,carbethoxyethylidine triphenylphosphorane |
| IUPAC Name | ethyl 2-(triphenyl-λ⁵-phosphanylidene)propanoate |
| InChI Key | KZENFXVDPUMQOE-UHFFFAOYSA-N |
| Molecular Formula | C23H23O2P |
Pentamethylbenzaldehyde 96.0+%, TCI America™
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CAS: 17432-38-1 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00015560 InChI Key: RWOZGGOKRKSHKN-UHFFFAOYSA-N Synonym: pentamethylbenzaldehyde,pubchem16352,acmc-1busy,3,4-dibenzyloxyphenethylamine hydroxide PubChem CID: 263712 IUPAC Name: 2,3,4,5,6-pentamethylbenzaldehyde SMILES: CC1=C(C(=C(C(=C1C)C)C=O)C)C
| PubChem CID | 263712 |
|---|---|
| CAS | 17432-38-1 |
| Molecular Weight (g/mol) | 176.259 |
| MDL Number | MFCD00015560 |
| SMILES | CC1=C(C(=C(C(=C1C)C)C=O)C)C |
| Synonym | pentamethylbenzaldehyde,pubchem16352,acmc-1busy,3,4-dibenzyloxyphenethylamine hydroxide |
| IUPAC Name | 2,3,4,5,6-pentamethylbenzaldehyde |
| InChI Key | RWOZGGOKRKSHKN-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
N-Ethyl-m-toluidine 98.0+%, TCI America™
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CAS: 102-27-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00009027 InChI Key: GUYMMHOQXYZMJQ-UHFFFAOYSA-N Synonym: n-ethyl-m-toluidine,benzenamine, n-ethyl-3-methyl,m-toluidine, n-ethyl,m-methyl-n-ethylaniline,n-ethyl-3-methylbenzenamine,unii-12k193mtcr,3-ethylamino toluene,n-ethyl-meta-toluidine,n-ethyl-3-methyl-aniline,toluene, 3-ethylamino PubChem CID: 7603 IUPAC Name: N-ethyl-3-methylaniline SMILES: CCNC1=CC=CC(C)=C1
| PubChem CID | 7603 |
|---|---|
| CAS | 102-27-2 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00009027 |
| SMILES | CCNC1=CC=CC(C)=C1 |
| Synonym | n-ethyl-m-toluidine,benzenamine, n-ethyl-3-methyl,m-toluidine, n-ethyl,m-methyl-n-ethylaniline,n-ethyl-3-methylbenzenamine,unii-12k193mtcr,3-ethylamino toluene,n-ethyl-meta-toluidine,n-ethyl-3-methyl-aniline,toluene, 3-ethylamino |
| IUPAC Name | N-ethyl-3-methylaniline |
| InChI Key | GUYMMHOQXYZMJQ-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
Ethyl Acetylsalicylate 98.0+%, TCI America™
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CAS: 529-68-0 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00026824 InChI Key: UYDSGXAKLVZWIJ-UHFFFAOYSA-N Synonym: 2-Acetoxybenzoic Acid Ethyl Ester, Ethyl 2-Acetoxybenzoate, Acetylsalicylic Acid Ethyl Ester PubChem CID: 10728 IUPAC Name: ethyl 2-acetyloxybenzoate SMILES: CCOC(=O)C1=CC=CC=C1OC(=O)C
| PubChem CID | 10728 |
|---|---|
| CAS | 529-68-0 |
| Molecular Weight (g/mol) | 208.213 |
| MDL Number | MFCD00026824 |
| SMILES | CCOC(=O)C1=CC=CC=C1OC(=O)C |
| Synonym | 2-Acetoxybenzoic Acid Ethyl Ester, Ethyl 2-Acetoxybenzoate, Acetylsalicylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-acetyloxybenzoate |
| InChI Key | UYDSGXAKLVZWIJ-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |
2-Chloro-4-(trifluoromethyl)benzonitrile 95.0+%, TCI America™
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CAS: 1813-33-8 Molecular Formula: C8H3ClF3N Molecular Weight (g/mol): 205.564 MDL Number: MFCD00084939 InChI Key: GEHMLBFNZKJDQM-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl benzonitrile,3-chloro-4-cyanobenzotrifluoride,3-chloro-4-cyano-benzotrifluoride,4-trifluoromethyl-2-chlorobenzonitrile,benzonitrile, 2-chloro-4-trifluoromethyl,2-chloro-4-trifluoromethyl benzenecarbonitrile,pubchem4745,acmc-209eho,buttpark 9757-31,ksc494o6f PubChem CID: 2736476 IUPAC Name: 2-chloro-4-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)C#N
| PubChem CID | 2736476 |
|---|---|
| CAS | 1813-33-8 |
| Molecular Weight (g/mol) | 205.564 |
| MDL Number | MFCD00084939 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)C#N |
| Synonym | 2-chloro-4-trifluoromethyl benzonitrile,3-chloro-4-cyanobenzotrifluoride,3-chloro-4-cyano-benzotrifluoride,4-trifluoromethyl-2-chlorobenzonitrile,benzonitrile, 2-chloro-4-trifluoromethyl,2-chloro-4-trifluoromethyl benzenecarbonitrile,pubchem4745,acmc-209eho,buttpark 9757-31,ksc494o6f |
| IUPAC Name | 2-chloro-4-(trifluoromethyl)benzonitrile |
| InChI Key | GEHMLBFNZKJDQM-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF3N |
4-Bromo-3-(trifluoromethyl)phenol 98.0+%, TCI America™
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CAS: 320-49-0 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.01 MDL Number: MFCD03095342 InChI Key: VOWPIDJSINRFPZ-UHFFFAOYSA-N Synonym: 4-bromo-3-trifluoromethyl phenol,2-bromo-5-hydroxybenzotrifluoride,3-trifluoromethyl-4-bromophenol,phenol, 4-bromo-3-trifluoromethyl,4-bromo-3-trifluromethylphenol,4-bromo-3-trifluoromethyl-phenol,btfp,pubchem2111,acmc-1ahmz,3-trifluoromethyl-4-bromo phenol PubChem CID: 22277307 IUPAC Name: 4-bromo-3-(trifluoromethyl)phenol SMILES: OC1=CC(=C(Br)C=C1)C(F)(F)F
| PubChem CID | 22277307 |
|---|---|
| CAS | 320-49-0 |
| Molecular Weight (g/mol) | 241.01 |
| MDL Number | MFCD03095342 |
| SMILES | OC1=CC(=C(Br)C=C1)C(F)(F)F |
| Synonym | 4-bromo-3-trifluoromethyl phenol,2-bromo-5-hydroxybenzotrifluoride,3-trifluoromethyl-4-bromophenol,phenol, 4-bromo-3-trifluoromethyl,4-bromo-3-trifluromethylphenol,4-bromo-3-trifluoromethyl-phenol,btfp,pubchem2111,acmc-1ahmz,3-trifluoromethyl-4-bromo phenol |
| IUPAC Name | 4-bromo-3-(trifluoromethyl)phenol |
| InChI Key | VOWPIDJSINRFPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |
N-Methoxy-N-methyl-4-(trifluoromethyl)benzamide 98.0+%, TCI America™
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2-Bromo-4-(trifluoromethyl)phenol 98.0+%, TCI America™
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CAS: 81107-97-3 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD06657954 InChI Key: DTEDKIRYMYDIGO-UHFFFAOYSA-N Synonym: 2-bromo-4-trifluoromethyl phenol,3-bromo-4-hydroxybenzotrifluoride,phenol, 2-bromo-4-trifluoromethyl,buttpark 180\07-84,pubchem18455,acmc-209pkp,ksc495c0j,4-trifluoromethyl-2-bromophenol,2-bromo-4-trifluoromethyl-phenol,phenol,2-bromo-4-trifluoromethyl PubChem CID: 2761168 IUPAC Name: 2-bromo-4-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)O
| PubChem CID | 2761168 |
|---|---|
| CAS | 81107-97-3 |
| Molecular Weight (g/mol) | 241.007 |
| MDL Number | MFCD06657954 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)O |
| Synonym | 2-bromo-4-trifluoromethyl phenol,3-bromo-4-hydroxybenzotrifluoride,phenol, 2-bromo-4-trifluoromethyl,buttpark 180\07-84,pubchem18455,acmc-209pkp,ksc495c0j,4-trifluoromethyl-2-bromophenol,2-bromo-4-trifluoromethyl-phenol,phenol,2-bromo-4-trifluoromethyl |
| IUPAC Name | 2-bromo-4-(trifluoromethyl)phenol |
| InChI Key | DTEDKIRYMYDIGO-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |
2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide 98.0+%, TCI America™
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CAS: 24522-30-3 Molecular Formula: C10H7F3N2O Molecular Weight (g/mol): 228.174 MDL Number: MFCD05669245 InChI Key: JBNCFFDGYDZEEN-UHFFFAOYSA-N PubChem CID: 3823803 IUPAC Name: 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide SMILES: C1=CC(=CC=C1C(F)(F)F)NC(=O)CC#N
| PubChem CID | 3823803 |
|---|---|
| CAS | 24522-30-3 |
| Molecular Weight (g/mol) | 228.174 |
| MDL Number | MFCD05669245 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)NC(=O)CC#N |
| IUPAC Name | 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide |
| InChI Key | JBNCFFDGYDZEEN-UHFFFAOYSA-N |
| Molecular Formula | C10H7F3N2O |
4-(Trifluoromethyl)benzoic Acid 98.0+%, TCI America™
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CAS: 455-24-3 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.121 MDL Number: MFCD00002562 InChI Key: SWKPKONEIZGROQ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride PubChem CID: 9966 ChEBI: CHEBI:60696 IUPAC Name: 4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)C(F)(F)F
| PubChem CID | 9966 |
|---|---|
| CAS | 455-24-3 |
| Molecular Weight (g/mol) | 190.121 |
| ChEBI | CHEBI:60696 |
| MDL Number | MFCD00002562 |
| SMILES | C1=CC(=CC=C1C(=O)O)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride |
| IUPAC Name | 4-(trifluoromethyl)benzoic acid |
| InChI Key | SWKPKONEIZGROQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2 |
1-Bromo-2,4-bis(trifluoromethyl)benzene 97.0+%, TCI America™
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CAS: 327-75-3 Molecular Formula: C8H3BrF6 Molecular Weight (g/mol): 293.01 MDL Number: MFCD00074904 InChI Key: QDEJWLIKRLJYEK-UHFFFAOYSA-N Synonym: 2,4-bis trifluoromethyl bromobenzene,1-bromo-2,4-bis trifluoromethyl benzene,4-bromo-1,3-bis trifluoromethyl benzene,1,3-bis trifluoromethyl-4-bromobenzene,2,4-ditrifluoromethylbromobenzene,benzene, 1-bromo-2,4-bis trifluoromethyl,2,4-bis-trifluoromethylbromobenzene,fxffr be exfff,pubchem8494 PubChem CID: 136164 IUPAC Name: 1-bromo-2,4-bis(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=C(Br)C(=C1)C(F)(F)F
| PubChem CID | 136164 |
|---|---|
| CAS | 327-75-3 |
| Molecular Weight (g/mol) | 293.01 |
| MDL Number | MFCD00074904 |
| SMILES | FC(F)(F)C1=CC=C(Br)C(=C1)C(F)(F)F |
| Synonym | 2,4-bis trifluoromethyl bromobenzene,1-bromo-2,4-bis trifluoromethyl benzene,4-bromo-1,3-bis trifluoromethyl benzene,1,3-bis trifluoromethyl-4-bromobenzene,2,4-ditrifluoromethylbromobenzene,benzene, 1-bromo-2,4-bis trifluoromethyl,2,4-bis-trifluoromethylbromobenzene,fxffr be exfff,pubchem8494 |
| IUPAC Name | 1-bromo-2,4-bis(trifluoromethyl)benzene |
| InChI Key | QDEJWLIKRLJYEK-UHFFFAOYSA-N |
| Molecular Formula | C8H3BrF6 |
3,5-Bis(trifluoromethyl)benzonitrile 98.0+%, TCI America™
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CAS: 27126-93-8 Molecular Formula: C9H3F6N Molecular Weight (g/mol): 239.12 MDL Number: MFCD00000379 InChI Key: CZKHHAOIHXHOSR-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzonitrile,3,5-di trifluoromethyl benzonitrile,bis 3,5-trifluoromethyl benzonitrile,mbt-cn,3,5-bis-trifluoromethyl benzonitrile,benzonitrile, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenecarbonitrile,fxffr ccn exfff,pubchem4691,3,5-bis tifluoromethyl-1-cyanobenzene PubChem CID: 96746 IUPAC Name: 3,5-bis(trifluoromethyl)benzonitrile SMILES: FC(F)(F)C1=CC(=CC(=C1)C#N)C(F)(F)F
| PubChem CID | 96746 |
|---|---|
| CAS | 27126-93-8 |
| Molecular Weight (g/mol) | 239.12 |
| MDL Number | MFCD00000379 |
| SMILES | FC(F)(F)C1=CC(=CC(=C1)C#N)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl benzonitrile,3,5-di trifluoromethyl benzonitrile,bis 3,5-trifluoromethyl benzonitrile,mbt-cn,3,5-bis-trifluoromethyl benzonitrile,benzonitrile, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenecarbonitrile,fxffr ccn exfff,pubchem4691,3,5-bis tifluoromethyl-1-cyanobenzene |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzonitrile |
| InChI Key | CZKHHAOIHXHOSR-UHFFFAOYSA-N |
| Molecular Formula | C9H3F6N |
3-Fluorobenzotrifluoride 98.0+%, TCI America™
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CAS: 401-80-9 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000382 InChI Key: GBOWGKOVMBDPJF-UHFFFAOYSA-N Synonym: 3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene PubChem CID: 67867 IUPAC Name: 1-fluoro-3-(trifluoromethyl)benzene SMILES: FC1=CC=CC(=C1)C(F)(F)F
| PubChem CID | 67867 |
|---|---|
| CAS | 401-80-9 |
| Molecular Weight (g/mol) | 164.10 |
| MDL Number | MFCD00000382 |
| SMILES | FC1=CC=CC(=C1)C(F)(F)F |
| Synonym | 3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene |
| IUPAC Name | 1-fluoro-3-(trifluoromethyl)benzene |
| InChI Key | GBOWGKOVMBDPJF-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4 |
Octafluorotoluene 98.0+%, TCI America™
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CAS: 434-64-0 Molecular Formula: C7F8 Molecular Weight (g/mol): 236.06 MDL Number: MFCD00000375 InChI Key: USPWUOFNOTUBAD-UHFFFAOYSA-N Synonym: octafluorotoluene,perfluorotoluene,1,2,3,4,5-pentafluoro-6-trifluoromethyl benzene,toluene, octafluoro,benzene, pentafluoro trifluoromethyl,trifluoromethyl pentafluorobenzene,pentafluorobenzotrifluoride,1,2,3,4,5-pentafluoro-6-trifluoromethyl-benzene,benzene, 1,2,3,4,5-pentafluoro-6-trifluoromethyl,acmc-209juh PubChem CID: 9906 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene SMILES: FC1=C(F)C(F)=C(C(F)=C1F)C(F)(F)F
| PubChem CID | 9906 |
|---|---|
| CAS | 434-64-0 |
| Molecular Weight (g/mol) | 236.06 |
| MDL Number | MFCD00000375 |
| SMILES | FC1=C(F)C(F)=C(C(F)=C1F)C(F)(F)F |
| Synonym | octafluorotoluene,perfluorotoluene,1,2,3,4,5-pentafluoro-6-trifluoromethyl benzene,toluene, octafluoro,benzene, pentafluoro trifluoromethyl,trifluoromethyl pentafluorobenzene,pentafluorobenzotrifluoride,1,2,3,4,5-pentafluoro-6-trifluoromethyl-benzene,benzene, 1,2,3,4,5-pentafluoro-6-trifluoromethyl,acmc-209juh |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene |
| InChI Key | USPWUOFNOTUBAD-UHFFFAOYSA-N |
| Molecular Formula | C7F8 |
trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one 98.0+%, TCI America™
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CAS: 103836-71-1 Molecular Formula: C19H12F6O Molecular Weight (g/mol): 370.294 InChI Key: OIUBVYQZMUKRRF-YDWXAUTNSA-N Synonym: trans,trans-Bis[4-(trifluoromethyl)benzal]acetone, trans,trans-Bis[4-(trifluoromethyl)benzylidene]acetone, trans,trans-Bis[4-(trifluoromethyl)styryl] Ketone PubChem CID: 5373276 IUPAC Name: (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one SMILES: C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
| PubChem CID | 5373276 |
|---|---|
| CAS | 103836-71-1 |
| Molecular Weight (g/mol) | 370.294 |
| SMILES | C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F |
| Synonym | trans,trans-Bis[4-(trifluoromethyl)benzal]acetone, trans,trans-Bis[4-(trifluoromethyl)benzylidene]acetone, trans,trans-Bis[4-(trifluoromethyl)styryl] Ketone |
| IUPAC Name | (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one |
| InChI Key | OIUBVYQZMUKRRF-YDWXAUTNSA-N |
| Molecular Formula | C19H12F6O |