Benzenoids
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(S)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl Chloride, TCI America™
CAS: 20445-33-4 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.617 MDL Number: MFCD00067105 InChI Key: PAORVUMOXXAMPL-SECBINFHSA-N Synonym: s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,+-mtpa-cl,unii-472va70ul4,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,s-+-a-methoxy-a-trifluoromethylphenylacetyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetylchloride,s-+-alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,+-mtpa chloride,+-mosher's chloride PubChem CID: 2724611 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F
| PubChem CID | 2724611 |
|---|---|
| CAS | 20445-33-4 |
| Molecular Weight (g/mol) | 252.617 |
| MDL Number | MFCD00067105 |
| SMILES | COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F |
| Synonym | s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,+-mtpa-cl,unii-472va70ul4,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,s-+-a-methoxy-a-trifluoromethylphenylacetyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetylchloride,s-+-alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,+-mtpa chloride,+-mosher's chloride |
| IUPAC Name | (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride |
| InChI Key | PAORVUMOXXAMPL-SECBINFHSA-N |
| Molecular Formula | C10H8ClF3O2 |
N-Methyl-2-(4-methoxyphenyl)ethylamine 95.0+%, TCI America™
CAS: 4091-50-3 Molecular Formula: C10H15NO Molecular Weight (g/mol): 165.24 MDL Number: MFCD00870496 InChI Key: JCMWSVNNSPUNER-UHFFFAOYSA-N Synonym: 4-Methoxy-N-methylphenethylamine, 4-[2-(Methylamino)ethyl]anisole PubChem CID: 104735 ChEBI: CHEBI:75143 IUPAC Name: [2-(4-methoxyphenyl)ethyl](methyl)amine SMILES: CNCCC1=CC=C(OC)C=C1
| PubChem CID | 104735 |
|---|---|
| CAS | 4091-50-3 |
| Molecular Weight (g/mol) | 165.24 |
| ChEBI | CHEBI:75143 |
| MDL Number | MFCD00870496 |
| SMILES | CNCCC1=CC=C(OC)C=C1 |
| Synonym | 4-Methoxy-N-methylphenethylamine, 4-[2-(Methylamino)ethyl]anisole |
| IUPAC Name | [2-(4-methoxyphenyl)ethyl](methyl)amine |
| InChI Key | JCMWSVNNSPUNER-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO |
Dichloramine B 95.0+%, TCI America™
CAS: 473-29-0 Molecular Formula: C6H5Cl2NO2S Molecular Weight (g/mol): 226.07 MDL Number: MFCD00025025 InChI Key: PJBJJXCZRAHMCK-UHFFFAOYSA-N Synonym: Benzenesulfonedichloramide PubChem CID: 68055 IUPAC Name: N,N-dichlorobenzenesulfonamide SMILES: ClN(Cl)S(=O)(=O)C1=CC=CC=C1
| PubChem CID | 68055 |
|---|---|
| CAS | 473-29-0 |
| Molecular Weight (g/mol) | 226.07 |
| MDL Number | MFCD00025025 |
| SMILES | ClN(Cl)S(=O)(=O)C1=CC=CC=C1 |
| Synonym | Benzenesulfonedichloramide |
| IUPAC Name | N,N-dichlorobenzenesulfonamide |
| InChI Key | PJBJJXCZRAHMCK-UHFFFAOYSA-N |
| Molecular Formula | C6H5Cl2NO2S |
Bianthrone 95.0+%, TCI America™
CAS: 434-85-5 Molecular Formula: C28H16O2 Molecular Weight (g/mol): 384.434 MDL Number: MFCD00001238 InChI Key: MGRRGKWPEVFJSH-UHFFFAOYSA-N Synonym: bianthrone,10h,10'h-9,9'-bianthracenylidene-10,10'-dione,dehydrodianthrone,9 10h-anthracenone, 10-10-oxo-9 10h-anthracenylidene,.delta.10,10'-bianthrone,10-10-oxo-9-anthrylidene anthracen-9-one,10-10-oxoanthracen-9-ylidene anthracen-9-one,bisanthrone,10-10-oxoanthracen-9 10h-ylidene anthracen-9 10h-one,9,9'-bianthracenylidene-10,10'-dione PubChem CID: 67948 IUPAC Name: 10-(10-oxoanthracen-9-ylidene)anthracen-9-one SMILES: C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC=CC=C6C2=O
| PubChem CID | 67948 |
|---|---|
| CAS | 434-85-5 |
| Molecular Weight (g/mol) | 384.434 |
| MDL Number | MFCD00001238 |
| SMILES | C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC=CC=C6C2=O |
| Synonym | bianthrone,10h,10'h-9,9'-bianthracenylidene-10,10'-dione,dehydrodianthrone,9 10h-anthracenone, 10-10-oxo-9 10h-anthracenylidene,.delta.10,10'-bianthrone,10-10-oxo-9-anthrylidene anthracen-9-one,10-10-oxoanthracen-9-ylidene anthracen-9-one,bisanthrone,10-10-oxoanthracen-9 10h-ylidene anthracen-9 10h-one,9,9'-bianthracenylidene-10,10'-dione |
| IUPAC Name | 10-(10-oxoanthracen-9-ylidene)anthracen-9-one |
| InChI Key | MGRRGKWPEVFJSH-UHFFFAOYSA-N |
| Molecular Formula | C28H16O2 |
3,4,5-Trihydroxybenzaldehyde 98.0+%, TCI America™
CAS: 13677-79-7 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00003371 InChI Key: RGZHEOWNTDJLAQ-UHFFFAOYSA-N Synonym: gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde PubChem CID: 83651 IUPAC Name: 3,4,5-trihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1O
| PubChem CID | 83651 |
|---|---|
| CAS | 13677-79-7 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00003371 |
| SMILES | OC1=CC(C=O)=CC(O)=C1O |
| Synonym | gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde |
| IUPAC Name | 3,4,5-trihydroxybenzaldehyde |
| InChI Key | RGZHEOWNTDJLAQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
2-Phenylnaphthalene 95.0+%, TCI America™
CAS: 612-94-2 Molecular Formula: C16H12 Molecular Weight (g/mol): 204.272 MDL Number: MFCD00039601 InChI Key: TURIHPLQSRVWHU-UHFFFAOYSA-N Synonym: naphthalene, 2-phenyl,.beta.-phenylnaphthalene,unii-949vn5dh7a,beta-phenylnaphthalene,6-phenylnaphthalene,2-phenyl-naphthalene,acmc-1bas3,naphthalene, 2-phenyl-8ci 9ci,10 microg/ml in cyclohexane PubChem CID: 11934 IUPAC Name: 2-phenylnaphthalene SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2
| PubChem CID | 11934 |
|---|---|
| CAS | 612-94-2 |
| Molecular Weight (g/mol) | 204.272 |
| MDL Number | MFCD00039601 |
| SMILES | C1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2 |
| Synonym | naphthalene, 2-phenyl,.beta.-phenylnaphthalene,unii-949vn5dh7a,beta-phenylnaphthalene,6-phenylnaphthalene,2-phenyl-naphthalene,acmc-1bas3,naphthalene, 2-phenyl-8ci 9ci,10 microg/ml in cyclohexane |
| IUPAC Name | 2-phenylnaphthalene |
| InChI Key | TURIHPLQSRVWHU-UHFFFAOYSA-N |
| Molecular Formula | C16H12 |
4-Chloro-6-nitro-m-cresol 98.0+%, TCI America™
CAS: 7147-89-9 Molecular Formula: C7H6ClNO3 Molecular Weight (g/mol): 187.58 MDL Number: MFCD00007114 InChI Key: JBMGJOKJUYGIJH-UHFFFAOYSA-N PubChem CID: 23532 IUPAC Name: 4-chloro-5-methyl-2-nitrophenol SMILES: CC1=CC(O)=C(C=C1Cl)[N+]([O-])=O
| PubChem CID | 23532 |
|---|---|
| CAS | 7147-89-9 |
| Molecular Weight (g/mol) | 187.58 |
| MDL Number | MFCD00007114 |
| SMILES | CC1=CC(O)=C(C=C1Cl)[N+]([O-])=O |
| IUPAC Name | 4-chloro-5-methyl-2-nitrophenol |
| InChI Key | JBMGJOKJUYGIJH-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO3 |
| PubChem CID | 2734387 |
|---|---|
| CAS | 1423-27-4 |
| Molecular Weight (g/mol) | 189.928 |
| MDL Number | MFCD00236059 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=CC=C1C(F)(F)F)(O)O |
| Synonym | 2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol |
| TSCA | No |
| IUPAC Name | [2-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | JNSBEPKGFVENFS-UHFFFAOYSA-N |
| Molecular Formula | C7H6BF3O2 |
| Formula Weight | 189.93 |
4,4'-Bis(chloromethyl)biphenyl 95.0+%, TCI America™
CAS: 1667-10-3 Molecular Formula: C14H12Cl2 Molecular Weight (g/mol): 251.15 MDL Number: MFCD00674019 InChI Key: INZDTEICWPZYJM-UHFFFAOYSA-N PubChem CID: 74275 IUPAC Name: 4,4'-bis(chloromethyl)-1,1'-biphenyl SMILES: ClCC1=CC=C(C=C1)C1=CC=C(CCl)C=C1
| PubChem CID | 74275 |
|---|---|
| CAS | 1667-10-3 |
| Molecular Weight (g/mol) | 251.15 |
| MDL Number | MFCD00674019 |
| SMILES | ClCC1=CC=C(C=C1)C1=CC=C(CCl)C=C1 |
| IUPAC Name | 4,4'-bis(chloromethyl)-1,1'-biphenyl |
| InChI Key | INZDTEICWPZYJM-UHFFFAOYSA-N |
| Molecular Formula | C14H12Cl2 |
4-n-Octylstyrene (stabilized with TBC) 95.0+%, TCI America™
CAS: 46745-66-8 Molecular Formula: C16H24 Molecular Weight (g/mol): 216.368 MDL Number: MFCD00078353 InChI Key: HLRQDIVVLOCZPH-UHFFFAOYSA-N PubChem CID: 17918559 IUPAC Name: 1-ethenyl-4-octylbenzene SMILES: CCCCCCCCC1=CC=C(C=C1)C=C
| PubChem CID | 17918559 |
|---|---|
| CAS | 46745-66-8 |
| Molecular Weight (g/mol) | 216.368 |
| MDL Number | MFCD00078353 |
| SMILES | CCCCCCCCC1=CC=C(C=C1)C=C |
| IUPAC Name | 1-ethenyl-4-octylbenzene |
| InChI Key | HLRQDIVVLOCZPH-UHFFFAOYSA-N |
| Molecular Formula | C16H24 |
2-(Trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 1423-27-4 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.928 MDL Number: MFCD00236059 InChI Key: JNSBEPKGFVENFS-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol,o-trifluoromethylphenylboronic acid,2-boronobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolueneboronic acid PubChem CID: 2734387 IUPAC Name: [2-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC=CC=C1C(F)(F)F)(O)O
| PubChem CID | 2734387 |
|---|---|
| CAS | 1423-27-4 |
| Molecular Weight (g/mol) | 189.928 |
| MDL Number | MFCD00236059 |
| SMILES | B(C1=CC=CC=C1C(F)(F)F)(O)O |
| Synonym | 2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol,o-trifluoromethylphenylboronic acid,2-boronobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolueneboronic acid |
| IUPAC Name | [2-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | JNSBEPKGFVENFS-UHFFFAOYSA-N |
| Molecular Formula | C7H6BF3O2 |
3-Bromo-4-fluorobenzyl Bromide 97.0+%, TCI America™
CAS: 78239-71-1 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.92 MDL Number: MFCD09037367 InChI Key: ZRWSODQPUJMFRV-UHFFFAOYSA-N PubChem CID: 12922710 IUPAC Name: 2-bromo-4-(bromomethyl)-1-fluorobenzene SMILES: FC1=C(Br)C=C(CBr)C=C1
| PubChem CID | 12922710 |
|---|---|
| CAS | 78239-71-1 |
| Molecular Weight (g/mol) | 267.92 |
| MDL Number | MFCD09037367 |
| SMILES | FC1=C(Br)C=C(CBr)C=C1 |
| IUPAC Name | 2-bromo-4-(bromomethyl)-1-fluorobenzene |
| InChI Key | ZRWSODQPUJMFRV-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br2F |
2'-Fluoro-4-pentyl-4″-propyl-1,1':4',1″-terphenyl 98.0+%, TCI America™
CAS: 95759-51-6 Molecular Formula: C26H29F Molecular Weight (g/mol): 360.516 MDL Number: MFCD11045061 InChI Key: SXGOKAUBXXCAAC-UHFFFAOYSA-N PubChem CID: 17977863 IUPAC Name: 2-fluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene SMILES: CCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)CCC)F
| PubChem CID | 17977863 |
|---|---|
| CAS | 95759-51-6 |
| Molecular Weight (g/mol) | 360.516 |
| MDL Number | MFCD11045061 |
| SMILES | CCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)CCC)F |
| IUPAC Name | 2-fluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene |
| InChI Key | SXGOKAUBXXCAAC-UHFFFAOYSA-N |
| Molecular Formula | C26H29F |
5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide 97.0+%, TCI America™
CAS: 31127-80-7 Molecular Formula: C16H20I3N3O7 Molecular Weight (g/mol): 747.06 MDL Number: MFCD08063354 InChI Key: BHCBLTRDEYPMFZ-UHFFFAOYNA-N Synonym: 5-Acetamido-N,N′C-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide PubChem CID: 11115326 IUPAC Name: N1,N3-bis(2,3-dihydroxypropyl)-5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxamide SMILES: CC(=O)NC1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I
| PubChem CID | 11115326 |
|---|---|
| CAS | 31127-80-7 |
| Molecular Weight (g/mol) | 747.06 |
| MDL Number | MFCD08063354 |
| SMILES | CC(=O)NC1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I |
| Synonym | 5-Acetamido-N,N′C-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide |
| IUPAC Name | N1,N3-bis(2,3-dihydroxypropyl)-5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxamide |
| InChI Key | BHCBLTRDEYPMFZ-UHFFFAOYNA-N |
| Molecular Formula | C16H20I3N3O7 |