Benzenoids
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(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate 97.0+%, TCI America™
CAS: 862095-77-0 Molecular Formula: C19H17BF7N3 Molecular Weight (g/mol): 431.165 InChI Key: UDDOGJQUYCEOBY-UNTBIKODSA-N PubChem CID: 11154665 IUPAC Name: (5R)-5-benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.C1CC2=NN(C=[N+]2C1CC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F
| PubChem CID | 11154665 |
|---|---|
| CAS | 862095-77-0 |
| Molecular Weight (g/mol) | 431.165 |
| SMILES | [B-](F)(F)(F)F.C1CC2=NN(C=[N+]2C1CC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F |
| IUPAC Name | (5R)-5-benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;tetrafluoroborate |
| InChI Key | UDDOGJQUYCEOBY-UNTBIKODSA-N |
| Molecular Formula | C19H17BF7N3 |
Methyl 3-(Bromomethyl)benzoate 97.0+%, TCI America™
CAS: 1129-28-8 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00051437 InChI Key: YUHSMQQNPRLEEJ-UHFFFAOYSA-N PubChem CID: 517981 IUPAC Name: methyl 3-(bromomethyl)benzoate SMILES: COC(=O)C1=CC=CC(CBr)=C1
| PubChem CID | 517981 |
|---|---|
| CAS | 1129-28-8 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00051437 |
| SMILES | COC(=O)C1=CC=CC(CBr)=C1 |
| IUPAC Name | methyl 3-(bromomethyl)benzoate |
| InChI Key | YUHSMQQNPRLEEJ-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4-Chloro-2-methylbenzoic Acid 98.0+%, TCI America™
CAS: 7499-07-2 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00045852 InChI Key: XXFKOBGFMUIWDH-UHFFFAOYSA-N Synonym: 4-chloro-2-methylbenzoicacid,4-chloro-o-toluic acid,benzoic acid, 4-chloro-2-methyl,2-methyl-4-chlorobenzoic acid,4-chloro-2-methyl-benzoic acid,pubchem4570,acmc-1bjnb,o-toluic acid, 4-chloro,ksc497q4r,4-chloro-2-methylbenzoic acid PubChem CID: 348269 IUPAC Name: 4-chloro-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Cl)C(=O)O
| PubChem CID | 348269 |
|---|---|
| CAS | 7499-07-2 |
| Molecular Weight (g/mol) | 170.59 |
| MDL Number | MFCD00045852 |
| SMILES | CC1=C(C=CC(=C1)Cl)C(=O)O |
| Synonym | 4-chloro-2-methylbenzoicacid,4-chloro-o-toluic acid,benzoic acid, 4-chloro-2-methyl,2-methyl-4-chlorobenzoic acid,4-chloro-2-methyl-benzoic acid,pubchem4570,acmc-1bjnb,o-toluic acid, 4-chloro,ksc497q4r,4-chloro-2-methylbenzoic acid |
| IUPAC Name | 4-chloro-2-methylbenzoic acid |
| InChI Key | XXFKOBGFMUIWDH-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
2-Bromo-1,3-difluoro-5-iodobenzene 98.0+%, TCI America™
CAS: 155906-10-8 Molecular Formula: C6H2BrF2I Molecular Weight (g/mol): 318.89 MDL Number: MFCD06797752 InChI Key: WOLGNRYEQPISPB-UHFFFAOYSA-N PubChem CID: 2761406 IUPAC Name: 2-bromo-1,3-difluoro-5-iodobenzene SMILES: FC1=CC(I)=CC(F)=C1Br
| PubChem CID | 2761406 |
|---|---|
| CAS | 155906-10-8 |
| Molecular Weight (g/mol) | 318.89 |
| MDL Number | MFCD06797752 |
| SMILES | FC1=CC(I)=CC(F)=C1Br |
| IUPAC Name | 2-bromo-1,3-difluoro-5-iodobenzene |
| InChI Key | WOLGNRYEQPISPB-UHFFFAOYSA-N |
| Molecular Formula | C6H2BrF2I |
3-Methoxy-2-nitrobenzoic Acid 99.0+%, TCI America™
CAS: 4920-80-3 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007143 InChI Key: YMOMYSDAOXOCID-UHFFFAOYSA-N Synonym: 3-methoxy-2-nitrobenzoic acid,2-nitro-3-methoxybenzoic acid,benzoic acid, 3-methoxy-2-nitro,2-nitro-m-anisic acid,m-anisic acid, 2-nitro,3-methoxy-2-nitrobenzoicacid,pubchem12905,acmc-1ao65,ksc238g2p PubChem CID: 78632 SMILES: COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O
| PubChem CID | 78632 |
|---|---|
| CAS | 4920-80-3 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00007143 |
| SMILES | COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O |
| Synonym | 3-methoxy-2-nitrobenzoic acid,2-nitro-3-methoxybenzoic acid,benzoic acid, 3-methoxy-2-nitro,2-nitro-m-anisic acid,m-anisic acid, 2-nitro,3-methoxy-2-nitrobenzoicacid,pubchem12905,acmc-1ao65,ksc238g2p |
| InChI Key | YMOMYSDAOXOCID-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
3-Bromo-5-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
CAS: 328-67-6 Molecular Formula: C8H4BrF3O2 Molecular Weight (g/mol): 269.02 MDL Number: MFCD03412186 InChI Key: AMZBKZQMAZWIJM-UHFFFAOYSA-N Synonym: 3-bromo-5-trifluoromethyl benzoic acid,3-bromo-5-trifluoromethyl-benzoic acid,5-bromo-3-trifluoromethyl benzoic acid,3-bromo-5-trifluoromethylbenzoicacid,benzoic acid, 3-bromo-5-trifluoromethyl,pubchem4737,3-bromo-5-trifluoromethyl benzoicacid,acmc-1clgk,ksc222e0t PubChem CID: 11086788 IUPAC Name: 3-bromo-5-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=CC(Br)=C1)C(F)(F)F
| PubChem CID | 11086788 |
|---|---|
| CAS | 328-67-6 |
| Molecular Weight (g/mol) | 269.02 |
| MDL Number | MFCD03412186 |
| SMILES | OC(=O)C1=CC(=CC(Br)=C1)C(F)(F)F |
| Synonym | 3-bromo-5-trifluoromethyl benzoic acid,3-bromo-5-trifluoromethyl-benzoic acid,5-bromo-3-trifluoromethyl benzoic acid,3-bromo-5-trifluoromethylbenzoicacid,benzoic acid, 3-bromo-5-trifluoromethyl,pubchem4737,3-bromo-5-trifluoromethyl benzoicacid,acmc-1clgk,ksc222e0t |
| IUPAC Name | 3-bromo-5-(trifluoromethyl)benzoic acid |
| InChI Key | AMZBKZQMAZWIJM-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrF3O2 |
4-Fluoro-3-nitrophenyl Methyl Sulfone 98.0+%, TCI America™
CAS: 453-72-5 Molecular Formula: C7H6FNO4S Molecular Weight (g/mol): 219.19 MDL Number: MFCD00025066 InChI Key: OUSNDSFSTBZESM-UHFFFAOYSA-N Synonym: 4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene PubChem CID: 313137 IUPAC Name: 1-fluoro-4-methanesulfonyl-2-nitrobenzene SMILES: CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
| PubChem CID | 313137 |
|---|---|
| CAS | 453-72-5 |
| Molecular Weight (g/mol) | 219.19 |
| MDL Number | MFCD00025066 |
| SMILES | CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O |
| Synonym | 4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene |
| IUPAC Name | 1-fluoro-4-methanesulfonyl-2-nitrobenzene |
| InChI Key | OUSNDSFSTBZESM-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO4S |
3-Chloro-5-hydroxybenzoic Acid 98.0+%, TCI America™
CAS: 53984-36-4 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.56 MDL Number: MFCD04114327 InChI Key: RJOLIYHZZKAIET-UHFFFAOYSA-N PubChem CID: 13071646 IUPAC Name: 3-chloro-5-hydroxybenzoic acid SMILES: OC(=O)C1=CC(O)=CC(Cl)=C1
| PubChem CID | 13071646 |
|---|---|
| CAS | 53984-36-4 |
| Molecular Weight (g/mol) | 172.56 |
| MDL Number | MFCD04114327 |
| SMILES | OC(=O)C1=CC(O)=CC(Cl)=C1 |
| IUPAC Name | 3-chloro-5-hydroxybenzoic acid |
| InChI Key | RJOLIYHZZKAIET-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO3 |
1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea 98.0+%, TCI America™
CAS: 1060-92-0 Molecular Formula: C17H8F12N2S Molecular Weight (g/mol): 500.306 InChI Key: RWXWQJYJWJNJNW-UHFFFAOYSA-N PubChem CID: 2803772 IUPAC Name: 1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea SMILES: C1=C(C=C(C=C1C(F)(F)F)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F
| PubChem CID | 2803772 |
|---|---|
| CAS | 1060-92-0 |
| Molecular Weight (g/mol) | 500.306 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F |
| IUPAC Name | 1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea |
| InChI Key | RWXWQJYJWJNJNW-UHFFFAOYSA-N |
| Molecular Formula | C17H8F12N2S |
4-Phenoxypyridine 95.0+%, TCI America™
CAS: 4783-86-2 Molecular Formula: C11H9NO Molecular Weight (g/mol): 171.199 MDL Number: MFCD00235157 InChI Key: OATKXQIGHQXTDO-UHFFFAOYSA-N PubChem CID: 249651 IUPAC Name: 4-phenoxypyridine SMILES: C1=CC=C(C=C1)OC2=CC=NC=C2
| PubChem CID | 249651 |
|---|---|
| CAS | 4783-86-2 |
| Molecular Weight (g/mol) | 171.199 |
| MDL Number | MFCD00235157 |
| SMILES | C1=CC=C(C=C1)OC2=CC=NC=C2 |
| IUPAC Name | 4-phenoxypyridine |
| InChI Key | OATKXQIGHQXTDO-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO |
Methoxymethyl Phenyl Sulfone 98.0+%, TCI America™
CAS: 15251-78-2 Molecular Formula: C8H10O3S Molecular Weight (g/mol): 186.225 InChI Key: MZIVRTQIEKRAPI-UHFFFAOYSA-N PubChem CID: 366072 IUPAC Name: methoxymethylsulfonylbenzene SMILES: COCS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 366072 |
|---|---|
| CAS | 15251-78-2 |
| Molecular Weight (g/mol) | 186.225 |
| SMILES | COCS(=O)(=O)C1=CC=CC=C1 |
| IUPAC Name | methoxymethylsulfonylbenzene |
| InChI Key | MZIVRTQIEKRAPI-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3S |
4-Chloro-2,5-dimethoxyaniline 98.0+%, TCI America™
CAS: 6358-64-1 Molecular Formula: C8H10ClNO2 Molecular Weight (g/mol): 187.62 MDL Number: MFCD00014893 InChI Key: YGUFQYGSBVXPMC-UHFFFAOYSA-N Synonym: 2,5-dimethoxy-4-chloroaniline,benzenamine, 4-chloro-2,5-dimethoxy,aniline, 4-chloro-2,5-dimethoxy,unii-t659iw8p4s,4-chloro-2,5-dimethoxyphenylamine,pubchem4366,acmc-1b2t2,dsstox_cid_20718,dsstox_rid_79565,dsstox_gsid_40718 PubChem CID: 22833 IUPAC Name: 4-chloro-2,5-dimethoxyaniline SMILES: COC1=CC(Cl)=C(OC)C=C1N
| PubChem CID | 22833 |
|---|---|
| CAS | 6358-64-1 |
| Molecular Weight (g/mol) | 187.62 |
| MDL Number | MFCD00014893 |
| SMILES | COC1=CC(Cl)=C(OC)C=C1N |
| Synonym | 2,5-dimethoxy-4-chloroaniline,benzenamine, 4-chloro-2,5-dimethoxy,aniline, 4-chloro-2,5-dimethoxy,unii-t659iw8p4s,4-chloro-2,5-dimethoxyphenylamine,pubchem4366,acmc-1b2t2,dsstox_cid_20718,dsstox_rid_79565,dsstox_gsid_40718 |
| IUPAC Name | 4-chloro-2,5-dimethoxyaniline |
| InChI Key | YGUFQYGSBVXPMC-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO2 |
4-Acetamidobenzaldehyde 98.0+%, TCI America™
CAS: 122-85-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00003380 InChI Key: SKLUWKYNZNXSLX-UHFFFAOYSA-N Synonym: 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde PubChem CID: 73942 IUPAC Name: N-(4-formylphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)C=O
| PubChem CID | 73942 |
|---|---|
| CAS | 122-85-0 |
| Molecular Weight (g/mol) | 163.176 |
| MDL Number | MFCD00003380 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C=O |
| Synonym | 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde |
| IUPAC Name | N-(4-formylphenyl)acetamide |
| InChI Key | SKLUWKYNZNXSLX-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
Ethyl 2-Methoxy-6-methylbenzoate 95.0+%, TCI America™
CAS: 6520-83-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00191666 InChI Key: GQLSLEBNODXANJ-UHFFFAOYSA-N Synonym: 2-Methoxy-6-methylbenzoic Acid Ethyl Ester PubChem CID: 591060 IUPAC Name: ethyl 2-methoxy-6-methylbenzoate SMILES: CCOC(=O)C1=C(C=CC=C1OC)C
| PubChem CID | 591060 |
|---|---|
| CAS | 6520-83-8 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00191666 |
| SMILES | CCOC(=O)C1=C(C=CC=C1OC)C |
| Synonym | 2-Methoxy-6-methylbenzoic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-methoxy-6-methylbenzoate |
| InChI Key | GQLSLEBNODXANJ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Fluazinam 98.0+%, TCI America™
CAS: 79622-59-6 Molecular Formula: C13H4Cl2F6N4O4 Molecular Weight (g/mol): 465.09 MDL Number: MFCD00214168 InChI Key: UZCGKGPEKUCDTF-UHFFFAOYSA-N Synonym: fluazinam,frowncide,shirlan flow,altima,sekoya,mapro,shirlan zeneca,fluazinam iso,unii-0p91pck33q,3-chloro-n-3-chloro-2,6-dinitro-4-trifluoromethyl phenyl-5-trifluoromethyl pyridin-2-amine PubChem CID: 91731 ChEBI: CHEBI:81843 IUPAC Name: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine SMILES: [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=NC=C(C=C1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F
| PubChem CID | 91731 |
|---|---|
| CAS | 79622-59-6 |
| Molecular Weight (g/mol) | 465.09 |
| ChEBI | CHEBI:81843 |
| MDL Number | MFCD00214168 |
| SMILES | [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=NC=C(C=C1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F |
| Synonym | fluazinam,frowncide,shirlan flow,altima,sekoya,mapro,shirlan zeneca,fluazinam iso,unii-0p91pck33q,3-chloro-n-3-chloro-2,6-dinitro-4-trifluoromethyl phenyl-5-trifluoromethyl pyridin-2-amine |
| IUPAC Name | 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine |
| InChI Key | UZCGKGPEKUCDTF-UHFFFAOYSA-N |
| Molecular Formula | C13H4Cl2F6N4O4 |