Benzenoids
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4-Amino-3-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
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CAS: 327-74-2 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 MDL Number: MFCD00275473 InChI Key: MWLZJOBGDXBMBP-UHFFFAOYSA-N Synonym: 4-amino-3-trifluoromethyl benzonitrile,2-amino-5-cyanobenzotrifluoride,2-trifluoromethyl-4-cyanoaniline,4-cyano-2-trifluoromethyl aniline,2-amino-5cyano-trifluorotoluene,3-trifluoromethyl-4-aminobenzonitrile,benzonitrile, 4-amino-3-trifluoromethyl,4-amino-3-trifluoromethyl-benzonitrile,4-amino-3-trifluoromethyl benzenecarbonitrile,4-amino-3-trifluoromethylbenzonitrile;2-amino-5-cyanobenzotrifluoride PubChem CID: 2779488 IUPAC Name: 4-amino-3-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)N
| PubChem CID | 2779488 |
|---|---|
| CAS | 327-74-2 |
| Molecular Weight (g/mol) | 186.137 |
| MDL Number | MFCD00275473 |
| SMILES | C1=CC(=C(C=C1C#N)C(F)(F)F)N |
| Synonym | 4-amino-3-trifluoromethyl benzonitrile,2-amino-5-cyanobenzotrifluoride,2-trifluoromethyl-4-cyanoaniline,4-cyano-2-trifluoromethyl aniline,2-amino-5cyano-trifluorotoluene,3-trifluoromethyl-4-aminobenzonitrile,benzonitrile, 4-amino-3-trifluoromethyl,4-amino-3-trifluoromethyl-benzonitrile,4-amino-3-trifluoromethyl benzenecarbonitrile,4-amino-3-trifluoromethylbenzonitrile;2-amino-5-cyanobenzotrifluoride |
| IUPAC Name | 4-amino-3-(trifluoromethyl)benzonitrile |
| InChI Key | MWLZJOBGDXBMBP-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3N2 |
ICBA 98.5+%, TCI America™
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CAS: 1207461-57-1 Molecular Formula: C78H16 Molecular Weight (g/mol): 952.986 MDL Number: MFCD20264904 InChI Key: HQCAMIYWHBVPQE-UHFFFAOYSA-N PubChem CID: 91972098 SMILES: C1C2C3=CC=CC=C3C1C45C26C7=C8C9=C1C2=C3C8=C8C6=C6C4=C4C%10=C%11C%12=C%13C%14=C%15C%16=C%17C(=C1C1=C2C2=C%18C%19=C%20C2=C3C8=C2C%20=C(C%10=C26)C2=C%11C3=C%13C%15=C6C%17=C1C%181C6(C3=C2%19)C2CC1C1=CC=CC=C21)C1=C%16C2=C%14C(=C%124)C5=C2C7=C19
| PubChem CID | 91972098 |
|---|---|
| CAS | 1207461-57-1 |
| Molecular Weight (g/mol) | 952.986 |
| MDL Number | MFCD20264904 |
| SMILES | C1C2C3=CC=CC=C3C1C45C26C7=C8C9=C1C2=C3C8=C8C6=C6C4=C4C%10=C%11C%12=C%13C%14=C%15C%16=C%17C(=C1C1=C2C2=C%18C%19=C%20C2=C3C8=C2C%20=C(C%10=C26)C2=C%11C3=C%13C%15=C6C%17=C1C%181C6(C3=C2%19)C2CC1C1=CC=CC=C21)C1=C%16C2=C%14C(=C%124)C5=C2C7=C19 |
| InChI Key | HQCAMIYWHBVPQE-UHFFFAOYSA-N |
| Molecular Formula | C78H16 |
Pentafluorobenzonitrile 98.0+%, TCI America™
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CAS: 773-82-0 Molecular Formula: C7F5N Molecular Weight (g/mol): 193.076 MDL Number: MFCD00001775 InChI Key: YXWJGZQOGXGSSC-UHFFFAOYSA-N Synonym: pentafluorobenzonitrile,perfluorobenzonitrile,benzonitrile, pentafluoro,pentafluorocyanobenzene,benzonitrile, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro benzonitrile,2,3,4,5,6-pentafluorobenzenecarbonitrile,cyanopentafluorobenzene,pubchem2319,acmc-209p9k PubChem CID: 69882 IUPAC Name: 2,3,4,5,6-pentafluorobenzonitrile SMILES: C(#N)C1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 69882 |
|---|---|
| CAS | 773-82-0 |
| Molecular Weight (g/mol) | 193.076 |
| MDL Number | MFCD00001775 |
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | pentafluorobenzonitrile,perfluorobenzonitrile,benzonitrile, pentafluoro,pentafluorocyanobenzene,benzonitrile, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro benzonitrile,2,3,4,5,6-pentafluorobenzenecarbonitrile,cyanopentafluorobenzene,pubchem2319,acmc-209p9k |
| IUPAC Name | 2,3,4,5,6-pentafluorobenzonitrile |
| InChI Key | YXWJGZQOGXGSSC-UHFFFAOYSA-N |
| Molecular Formula | C7F5N |
2-(4-Fluorophenyl)thiophene 95.0+%, TCI America™
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CAS: 58861-48-6 Molecular Formula: C10H7FS Molecular Weight (g/mol): 178.224 MDL Number: MFCD06802535 InChI Key: PURJRGMZIKXDMW-UHFFFAOYSA-N PubChem CID: 21894783 IUPAC Name: 2-(4-fluorophenyl)thiophene SMILES: C1=CSC(=C1)C2=CC=C(C=C2)F
| PubChem CID | 21894783 |
|---|---|
| CAS | 58861-48-6 |
| Molecular Weight (g/mol) | 178.224 |
| MDL Number | MFCD06802535 |
| SMILES | C1=CSC(=C1)C2=CC=C(C=C2)F |
| IUPAC Name | 2-(4-fluorophenyl)thiophene |
| InChI Key | PURJRGMZIKXDMW-UHFFFAOYSA-N |
| Molecular Formula | C10H7FS |
1-Phenoxy-2-propanol 95.0+%, TCI America™
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CAS: 770-35-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00016861 InChI Key: IBLKWZIFZMJLFL-UHFFFAOYNA-N Synonym: 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312 PubChem CID: 92839 IUPAC Name: 1-phenoxypropan-2-ol SMILES: CC(O)COC1=CC=CC=C1
| PubChem CID | 92839 |
|---|---|
| CAS | 770-35-4 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00016861 |
| SMILES | CC(O)COC1=CC=CC=C1 |
| Synonym | 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312 |
| IUPAC Name | 1-phenoxypropan-2-ol |
| InChI Key | IBLKWZIFZMJLFL-UHFFFAOYNA-N |
| Molecular Formula | C9H12O2 |
3-Hydroxymethyl-2-methylbiphenyl 98.0+%, TCI America™
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CAS: 76350-90-8 Molecular Formula: C14H14O Molecular Weight (g/mol): 198.265 MDL Number: MFCD00134200 InChI Key: BGTLHJPGBIVQLJ-UHFFFAOYSA-N Synonym: 2-Methylbiphenyl-3-methanol PubChem CID: 596875 IUPAC Name: (2-methyl-3-phenylphenyl)methanol SMILES: CC1=C(C=CC=C1CO)C2=CC=CC=C2
| PubChem CID | 596875 |
|---|---|
| CAS | 76350-90-8 |
| Molecular Weight (g/mol) | 198.265 |
| MDL Number | MFCD00134200 |
| SMILES | CC1=C(C=CC=C1CO)C2=CC=CC=C2 |
| Synonym | 2-Methylbiphenyl-3-methanol |
| IUPAC Name | (2-methyl-3-phenylphenyl)methanol |
| InChI Key | BGTLHJPGBIVQLJ-UHFFFAOYSA-N |
| Molecular Formula | C14H14O |
3,5-Dichlorobenzenethiol 97.0+%, TCI America™
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CAS: 17231-94-6 Molecular Formula: C6H4Cl2S Molecular Weight (g/mol): 179.058 MDL Number: MFCD00041423 InChI Key: WRXIPCQPHZMXOO-UHFFFAOYSA-N Synonym: 3,5-dichlorothiophenol,3,5-dichloro thiophenol,3,5-dichlorobenzenthiol,3,5-dichlorobenzene-1-thiol,pubchem6804,3,5-dichloro-thiophenol,3,5-dichloro-benzenethiol,acmc-209e4e,3,5-dichlorophenyl mercaptan,benzenethiol, 3,5-dichloro PubChem CID: 2736096 IUPAC Name: 3,5-dichlorobenzenethiol SMILES: C1=C(C=C(C=C1Cl)Cl)S
| PubChem CID | 2736096 |
|---|---|
| CAS | 17231-94-6 |
| Molecular Weight (g/mol) | 179.058 |
| MDL Number | MFCD00041423 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)S |
| Synonym | 3,5-dichlorothiophenol,3,5-dichloro thiophenol,3,5-dichlorobenzenthiol,3,5-dichlorobenzene-1-thiol,pubchem6804,3,5-dichloro-thiophenol,3,5-dichloro-benzenethiol,acmc-209e4e,3,5-dichlorophenyl mercaptan,benzenethiol, 3,5-dichloro |
| IUPAC Name | 3,5-dichlorobenzenethiol |
| InChI Key | WRXIPCQPHZMXOO-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2S |
p-Toluenethiol 97.0+%, TCI America™
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CAS: 106-45-6 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.201 MDL Number: MFCD00004851 InChI Key: WLHCBQAPPJAULW-UHFFFAOYSA-N Synonym: p-toluenethiol,p-thiocresol,4-thiocresol,4-methylthiophenol,p-methylthiophenol,benzenethiol, 4-methyl,4-toluenethiol,p-tolyl mercaptan,p-thiolcresol,p-tolylthiol PubChem CID: 7811 IUPAC Name: 4-methylbenzenethiol SMILES: CC1=CC=C(C=C1)S
| PubChem CID | 7811 |
|---|---|
| CAS | 106-45-6 |
| Molecular Weight (g/mol) | 124.201 |
| MDL Number | MFCD00004851 |
| SMILES | CC1=CC=C(C=C1)S |
| Synonym | p-toluenethiol,p-thiocresol,4-thiocresol,4-methylthiophenol,p-methylthiophenol,benzenethiol, 4-methyl,4-toluenethiol,p-tolyl mercaptan,p-thiolcresol,p-tolylthiol |
| IUPAC Name | 4-methylbenzenethiol |
| InChI Key | WLHCBQAPPJAULW-UHFFFAOYSA-N |
| Molecular Formula | C7H8S |
2-(4-Fluorophenyl)ethyl Chloride 97.0+%, TCI America™
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CAS: 332-43-4 Molecular Formula: C8H8ClF Molecular Weight (g/mol): 158.60 MDL Number: MFCD00155000 InChI Key: LPUURRVXQCVXCX-UHFFFAOYSA-N Synonym: 1-2-chloroethyl-4-fluorobenzene,4-fluorophenethyl chloride,2-4-fluorophenyl ethyl chloride,1-2'-chloroethyl-4-fluorobenzene,1-2-chloro-ethyl-4-fluoro-benzene,benzene, 1-2-chloroethyl-4-fluoro,acmc-1anql,4-fluorophenetyl chloride,ksc570e7d,1-fluoro-4-2-chloroethyl benzene PubChem CID: 67622 IUPAC Name: 1-(2-chloroethyl)-4-fluorobenzene SMILES: FC1=CC=C(CCCl)C=C1
| PubChem CID | 67622 |
|---|---|
| CAS | 332-43-4 |
| Molecular Weight (g/mol) | 158.60 |
| MDL Number | MFCD00155000 |
| SMILES | FC1=CC=C(CCCl)C=C1 |
| Synonym | 1-2-chloroethyl-4-fluorobenzene,4-fluorophenethyl chloride,2-4-fluorophenyl ethyl chloride,1-2'-chloroethyl-4-fluorobenzene,1-2-chloro-ethyl-4-fluoro-benzene,benzene, 1-2-chloroethyl-4-fluoro,acmc-1anql,4-fluorophenetyl chloride,ksc570e7d,1-fluoro-4-2-chloroethyl benzene |
| IUPAC Name | 1-(2-chloroethyl)-4-fluorobenzene |
| InChI Key | LPUURRVXQCVXCX-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClF |
2-Methoxy-5-(trifluoromethyl)aniline 98.0+%, TCI America™
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CAS: 349-65-5 Molecular Formula: C8H8F3NO Molecular Weight (g/mol): 191.153 MDL Number: MFCD00042486 InChI Key: RKUSRLUGUVDNKP-UHFFFAOYSA-N Synonym: 2-methoxy-5-trifluoromethyl aniline,3-amino-4-methoxybenzotrifluoride,2-amino-4-trifluoromethylanisole,2-methoxy-5-trifluoromethyl-aniline,2-methoxy-5-trifluoromethyl-phenylamine,2-methoxy-5-trifluoromethyl phenylamine,benzenamine, 2-methoxy-5-trifluoromethyl,pubchem2720,acmc-209ic5,4-trifluromethyl-o-anisidine PubChem CID: 600637 IUPAC Name: 2-methoxy-5-(trifluoromethyl)aniline SMILES: COC1=C(C=C(C=C1)C(F)(F)F)N
| PubChem CID | 600637 |
|---|---|
| CAS | 349-65-5 |
| Molecular Weight (g/mol) | 191.153 |
| MDL Number | MFCD00042486 |
| SMILES | COC1=C(C=C(C=C1)C(F)(F)F)N |
| Synonym | 2-methoxy-5-trifluoromethyl aniline,3-amino-4-methoxybenzotrifluoride,2-amino-4-trifluoromethylanisole,2-methoxy-5-trifluoromethyl-aniline,2-methoxy-5-trifluoromethyl-phenylamine,2-methoxy-5-trifluoromethyl phenylamine,benzenamine, 2-methoxy-5-trifluoromethyl,pubchem2720,acmc-209ic5,4-trifluromethyl-o-anisidine |
| IUPAC Name | 2-methoxy-5-(trifluoromethyl)aniline |
| InChI Key | RKUSRLUGUVDNKP-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3NO |
3-Bromo-4-hydroxybenzoic Acid Hydrate 97.0+%, TCI America™
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CAS: 14348-41-5 Molecular Formula: C7H5BrO3 Molecular Weight (g/mol): 217.02 MDL Number: MFCD00017547 InChI Key: XMEQDAIDOBVHEK-UHFFFAOYSA-N Synonym: 3-bromo-4-hydroxy-benzoic acid,benzoic acid, 3-bromo-4-hydroxy,acmc-20aix6,3-bromo-4-hydroxybenzoicacid,3-bromo-4-hydroxybenzoic acid,3-bromo-4-hydroxybenzoicacidhydrate,3-bromo-4-hydroxybenzoic acid 10g PubChem CID: 84368 IUPAC Name: 3-bromo-4-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C(Br)=C1
| PubChem CID | 84368 |
|---|---|
| CAS | 14348-41-5 |
| Molecular Weight (g/mol) | 217.02 |
| MDL Number | MFCD00017547 |
| SMILES | OC(=O)C1=CC=C(O)C(Br)=C1 |
| Synonym | 3-bromo-4-hydroxy-benzoic acid,benzoic acid, 3-bromo-4-hydroxy,acmc-20aix6,3-bromo-4-hydroxybenzoicacid,3-bromo-4-hydroxybenzoic acid,3-bromo-4-hydroxybenzoicacidhydrate,3-bromo-4-hydroxybenzoic acid 10g |
| IUPAC Name | 3-bromo-4-hydroxybenzoic acid |
| InChI Key | XMEQDAIDOBVHEK-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO3 |
4-Bromo-2-(trifluoromethoxy)aniline 98.0+%, TCI America™
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CAS: 175278-09-8 Molecular Formula: C7H5BrF3NO Molecular Weight (g/mol): 256.02 MDL Number: MFCD00179338 InChI Key: QVILSWLYJYMGRN-UHFFFAOYSA-N Synonym: 4-bromo-2-trifluoromethoxy aniline,4-bromo-2-trifluoromethoxy-phenylamine,2-amino-5-bromo trifluoromethoxy benzene,benzenamine, 4-bromo-2-trifluoromethoxy,1-amino-4-bromo-2-trifluoromethoxy benzene,buttpark 50\01-74,4-bromo-2-trifluoromethoxy phenylamine,pubchem2930,acmc-1c9j8,ksc184e5f PubChem CID: 737382 IUPAC Name: 4-bromo-2-(trifluoromethoxy)aniline SMILES: NC1=CC=C(Br)C=C1OC(F)(F)F
| PubChem CID | 737382 |
|---|---|
| CAS | 175278-09-8 |
| Molecular Weight (g/mol) | 256.02 |
| MDL Number | MFCD00179338 |
| SMILES | NC1=CC=C(Br)C=C1OC(F)(F)F |
| Synonym | 4-bromo-2-trifluoromethoxy aniline,4-bromo-2-trifluoromethoxy-phenylamine,2-amino-5-bromo trifluoromethoxy benzene,benzenamine, 4-bromo-2-trifluoromethoxy,1-amino-4-bromo-2-trifluoromethoxy benzene,buttpark 50\01-74,4-bromo-2-trifluoromethoxy phenylamine,pubchem2930,acmc-1c9j8,ksc184e5f |
| IUPAC Name | 4-bromo-2-(trifluoromethoxy)aniline |
| InChI Key | QVILSWLYJYMGRN-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF3NO |
p-Anisaldehyde Dimethyl Acetal 97.0+%, TCI America™
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CAS: 2186-92-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00036507 InChI Key: NNHYAHOTXLASEA-UHFFFAOYSA-N Synonym: 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal PubChem CID: 75140 IUPAC Name: 1-(dimethoxymethyl)-4-methoxybenzene SMILES: COC(OC)C1=CC=C(OC)C=C1
| PubChem CID | 75140 |
|---|---|
| CAS | 2186-92-7 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00036507 |
| SMILES | COC(OC)C1=CC=C(OC)C=C1 |
| Synonym | 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal |
| IUPAC Name | 1-(dimethoxymethyl)-4-methoxybenzene |
| InChI Key | NNHYAHOTXLASEA-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
Allyl Benzyl Ether 99.0+%, TCI America™
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CAS: 14593-43-2 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00078288 InChI Key: HUGHWHMUUQNACD-UHFFFAOYSA-N PubChem CID: 84542 IUPAC Name: prop-2-enoxymethylbenzene SMILES: C=CCOCC1=CC=CC=C1
| PubChem CID | 84542 |
|---|---|
| CAS | 14593-43-2 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00078288 |
| SMILES | C=CCOCC1=CC=CC=C1 |
| IUPAC Name | prop-2-enoxymethylbenzene |
| InChI Key | HUGHWHMUUQNACD-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Anthraquinone-2,3-dicarboxylic Acid 98.0+%, TCI America™
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CAS: 27485-15-0 Molecular Formula: C16H8O6 Molecular Weight (g/mol): 296.23 MDL Number: MFCD00087537 InChI Key: PSHVQIKBLXBIQJ-UHFFFAOYSA-N PubChem CID: 3678091 IUPAC Name: 9,10-dioxo-9,10-dihydroanthracene-2,3-dicarboxylic acid SMILES: OC(=O)C1=C(C=C2C(=O)C3=CC=CC=C3C(=O)C2=C1)C(O)=O
| PubChem CID | 3678091 |
|---|---|
| CAS | 27485-15-0 |
| Molecular Weight (g/mol) | 296.23 |
| MDL Number | MFCD00087537 |
| SMILES | OC(=O)C1=C(C=C2C(=O)C3=CC=CC=C3C(=O)C2=C1)C(O)=O |
| IUPAC Name | 9,10-dioxo-9,10-dihydroanthracene-2,3-dicarboxylic acid |
| InChI Key | PSHVQIKBLXBIQJ-UHFFFAOYSA-N |
| Molecular Formula | C16H8O6 |