Benzenoids
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4-Amino-3-fluorophenol 98.0+%, TCI America™
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CAS: 399-95-1 Molecular Formula: C6H6FNO Molecular Weight (g/mol): 127.118 MDL Number: MFCD00077452 InChI Key: MNPLTKHJEAFOCA-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminophenol,2-fluoro-4-hydroxyaniline,phenol, 4-amino-3-fluoro,4-amino-3-fluoro-phenol,pubchem2832,3-fluoro-4-amino-phenol,4-amino-3-fluorophenol,acmc-209j9q,4-amine-3-fluorophenol,buttpark 33\04-79 PubChem CID: 2735919 IUPAC Name: 4-amino-3-fluorophenol SMILES: C1=CC(=C(C=C1O)F)N
| PubChem CID | 2735919 |
|---|---|
| CAS | 399-95-1 |
| Molecular Weight (g/mol) | 127.118 |
| MDL Number | MFCD00077452 |
| SMILES | C1=CC(=C(C=C1O)F)N |
| Synonym | 3-fluoro-4-aminophenol,2-fluoro-4-hydroxyaniline,phenol, 4-amino-3-fluoro,4-amino-3-fluoro-phenol,pubchem2832,3-fluoro-4-amino-phenol,4-amino-3-fluorophenol,acmc-209j9q,4-amine-3-fluorophenol,buttpark 33\04-79 |
| IUPAC Name | 4-amino-3-fluorophenol |
| InChI Key | MNPLTKHJEAFOCA-UHFFFAOYSA-N |
| Molecular Formula | C6H6FNO |
4-Fluoro-2-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
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CAS: 194853-86-6 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.11 MDL Number: MFCD00061283 InChI Key: LCCPQUYXMFXCAC-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-fluorobenzonitrile,4-fluoro-2-trifluoromethyl-benzonitrile,2-cyano-5-fluorobenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolunitrile,benzonitrile, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzenecarbonitrile,pubchem4802 PubChem CID: 605085 IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzonitrile SMILES: FC1=CC=C(C#N)C(=C1)C(F)(F)F
| PubChem CID | 605085 |
|---|---|
| CAS | 194853-86-6 |
| Molecular Weight (g/mol) | 189.11 |
| MDL Number | MFCD00061283 |
| SMILES | FC1=CC=C(C#N)C(=C1)C(F)(F)F |
| Synonym | 4-fluoro-2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-fluorobenzonitrile,4-fluoro-2-trifluoromethyl-benzonitrile,2-cyano-5-fluorobenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolunitrile,benzonitrile, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzenecarbonitrile,pubchem4802 |
| IUPAC Name | 4-fluoro-2-(trifluoromethyl)benzonitrile |
| InChI Key | LCCPQUYXMFXCAC-UHFFFAOYSA-N |
| Molecular Formula | C8H3F4N |
3,4-Difluorophenyl Isocyanate 98.0+%, TCI America™
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CAS: 42601-04-7 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.104 MDL Number: MFCD00065711 InChI Key: YBWJVFMNWMLZEN-UHFFFAOYSA-N Synonym: 3,4-difluorophenyl isocyanate,3,4-difluorophenylisocyanate,isocyanic acid 3,4-difluorophenyl ester,3,4-difluoro phenyl isocyanate,benzene,1,2-difluoro-4-isocyanato,1,2-difluoro-4-isocyanato-benzene,3,4-difluorobenzenisocyanate,acmc-1apvi,3,4-difluoro-phenylisocyanate,3,4-difluoro-phenyl isocyanate PubChem CID: 2734708 IUPAC Name: 1,2-difluoro-4-isocyanatobenzene SMILES: C1=CC(=C(C=C1N=C=O)F)F
| PubChem CID | 2734708 |
|---|---|
| CAS | 42601-04-7 |
| Molecular Weight (g/mol) | 155.104 |
| MDL Number | MFCD00065711 |
| SMILES | C1=CC(=C(C=C1N=C=O)F)F |
| Synonym | 3,4-difluorophenyl isocyanate,3,4-difluorophenylisocyanate,isocyanic acid 3,4-difluorophenyl ester,3,4-difluoro phenyl isocyanate,benzene,1,2-difluoro-4-isocyanato,1,2-difluoro-4-isocyanato-benzene,3,4-difluorobenzenisocyanate,acmc-1apvi,3,4-difluoro-phenylisocyanate,3,4-difluoro-phenyl isocyanate |
| IUPAC Name | 1,2-difluoro-4-isocyanatobenzene |
| InChI Key | YBWJVFMNWMLZEN-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2NO |
1,3-Bis[5-(4-tert-butylphenyl)-2-[1,3,4]oxadiazolyl]benzene 97.0+%, TCI America™
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CAS: 138372-67-5 Molecular Formula: C30H30N4O2 Molecular Weight (g/mol): 478.60 MDL Number: MFCD03093214 InChI Key: FQJQNLKWTRGIEB-UHFFFAOYSA-N Synonym: 1,3-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzene, OXD-7 PubChem CID: 15320492 IUPAC Name: 2-(4-tert-butylphenyl)-5-{3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1,3,4-oxadiazole SMILES: CC(C)(C)C1=CC=C(C=C1)C1=NN=C(O1)C1=CC(=CC=C1)C1=NN=C(O1)C1=CC=C(C=C1)C(C)(C)C
| PubChem CID | 15320492 |
|---|---|
| CAS | 138372-67-5 |
| Molecular Weight (g/mol) | 478.60 |
| MDL Number | MFCD03093214 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C1=NN=C(O1)C1=CC(=CC=C1)C1=NN=C(O1)C1=CC=C(C=C1)C(C)(C)C |
| Synonym | 1,3-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzene, OXD-7 |
| IUPAC Name | 2-(4-tert-butylphenyl)-5-{3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1,3,4-oxadiazole |
| InChI Key | FQJQNLKWTRGIEB-UHFFFAOYSA-N |
| Molecular Formula | C30H30N4O2 |
3-Bromo-5-chlorobenzonitrile 98.0+%, TCI America™
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CAS: 304854-55-5 Molecular Formula: C7H3BrClN Molecular Weight (g/mol): 216.462 MDL Number: MFCD06200840 InChI Key: DRKWKPSNVQVDKZ-UHFFFAOYSA-N PubChem CID: 15965893 IUPAC Name: 3-bromo-5-chlorobenzonitrile SMILES: C1=C(C=C(C=C1Cl)Br)C#N
| PubChem CID | 15965893 |
|---|---|
| CAS | 304854-55-5 |
| Molecular Weight (g/mol) | 216.462 |
| MDL Number | MFCD06200840 |
| SMILES | C1=C(C=C(C=C1Cl)Br)C#N |
| IUPAC Name | 3-bromo-5-chlorobenzonitrile |
| InChI Key | DRKWKPSNVQVDKZ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClN |
4-(Trifluoromethyl)benzyl Bromide 98.0+%, TCI America™
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CAS: 402-49-3 Molecular Formula: C8H6BrF3 Molecular Weight (g/mol): 239.035 MDL Number: MFCD00000403 InChI Key: IKSNDOVDVVPSMA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene PubChem CID: 123062 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1CBr)C(F)(F)F
| PubChem CID | 123062 |
|---|---|
| CAS | 402-49-3 |
| Molecular Weight (g/mol) | 239.035 |
| MDL Number | MFCD00000403 |
| SMILES | C1=CC(=CC=C1CBr)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene |
| IUPAC Name | 1-(bromomethyl)-4-(trifluoromethyl)benzene |
| InChI Key | IKSNDOVDVVPSMA-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrF3 |
2,4,5-Trifluoro-3-hydroxybenzoic Acid 98.0+%, TCI America™
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CAS: 116751-24-7 Molecular Formula: C7H3F3O3 Molecular Weight (g/mol): 192.093 MDL Number: MFCD00800378 InChI Key: YYAFUGSJSHXYNK-UHFFFAOYSA-N Synonym: 3-hydroxy-2,4,5-trifluorobenzoic acid,3-hydroxy-2,4,5-trifluorobenzoicacid,benzoic acid, 2,4,5-trifluoro-3-hydroxy,pubchem1353,2,4,5-trifluoro-3-hydroxy-benzoic acid,acmc-2099tc,ksc496g3r,2.4,5-trifluoro-3-hydroxybenzoic acid PubChem CID: 2734270 IUPAC Name: 2,4,5-trifluoro-3-hydroxybenzoic acid SMILES: C1=C(C(=C(C(=C1F)F)O)F)C(=O)O
| PubChem CID | 2734270 |
|---|---|
| CAS | 116751-24-7 |
| Molecular Weight (g/mol) | 192.093 |
| MDL Number | MFCD00800378 |
| SMILES | C1=C(C(=C(C(=C1F)F)O)F)C(=O)O |
| Synonym | 3-hydroxy-2,4,5-trifluorobenzoic acid,3-hydroxy-2,4,5-trifluorobenzoicacid,benzoic acid, 2,4,5-trifluoro-3-hydroxy,pubchem1353,2,4,5-trifluoro-3-hydroxy-benzoic acid,acmc-2099tc,ksc496g3r,2.4,5-trifluoro-3-hydroxybenzoic acid |
| IUPAC Name | 2,4,5-trifluoro-3-hydroxybenzoic acid |
| InChI Key | YYAFUGSJSHXYNK-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O3 |
2,4,6-Tris(4-bromophenyl)-1,3,5-triazine 98.0+%, TCI America™
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CAS: 30363-03-2 Molecular Formula: C21H12Br3N3 Molecular Weight (g/mol): 546.06 MDL Number: MFCD04116312 InChI Key: WZYVDGDZBNQVCF-UHFFFAOYSA-N PubChem CID: 35224 IUPAC Name: tris(4-bromophenyl)-1,3,5-triazine SMILES: BrC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 35224 |
|---|---|
| CAS | 30363-03-2 |
| Molecular Weight (g/mol) | 546.06 |
| MDL Number | MFCD04116312 |
| SMILES | BrC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1 |
| IUPAC Name | tris(4-bromophenyl)-1,3,5-triazine |
| InChI Key | WZYVDGDZBNQVCF-UHFFFAOYSA-N |
| Molecular Formula | C21H12Br3N3 |
2,4,5-Trichlorothioanisole 99.0+%, TCI America™
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CAS: 4163-78-4 Molecular Formula: C7H5Cl3S Molecular Weight (g/mol): 227.527 MDL Number: MFCD00044426 InChI Key: RWDHTEMSFGMSDP-UHFFFAOYSA-N Synonym: 2,4,5-trichlorothioanisole,methyl 2,4,5-trichlorophenyl sulfide,unii-7a1g9vo987,1,2,4-trichloro-5-methylsulfanyl benzene,methyl 2,4,5-trichlorophenyl sulphide,acmc-1afqu,benzene, 1,2,4-trichloro-5-methylthio,2,4,5-trichlorophenyl methyl sulfide,methyl 2,4,5-trichlorophenyl sulfane,1,2,5-trichloro-4-methylthio benzene PubChem CID: 77819 IUPAC Name: 1,2,4-trichloro-5-methylsulfanylbenzene SMILES: CSC1=CC(=C(C=C1Cl)Cl)Cl
| PubChem CID | 77819 |
|---|---|
| CAS | 4163-78-4 |
| Molecular Weight (g/mol) | 227.527 |
| MDL Number | MFCD00044426 |
| SMILES | CSC1=CC(=C(C=C1Cl)Cl)Cl |
| Synonym | 2,4,5-trichlorothioanisole,methyl 2,4,5-trichlorophenyl sulfide,unii-7a1g9vo987,1,2,4-trichloro-5-methylsulfanyl benzene,methyl 2,4,5-trichlorophenyl sulphide,acmc-1afqu,benzene, 1,2,4-trichloro-5-methylthio,2,4,5-trichlorophenyl methyl sulfide,methyl 2,4,5-trichlorophenyl sulfane,1,2,5-trichloro-4-methylthio benzene |
| IUPAC Name | 1,2,4-trichloro-5-methylsulfanylbenzene |
| InChI Key | RWDHTEMSFGMSDP-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3S |
Ditridecyl Phthalate (mixture of branched chain isomers), TCI America™
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CAS: 75359-31-8 Molecular Formula: C34H58O4 Molecular Weight (g/mol): 530.834 MDL Number: MFCD00048451 InChI Key: YCZJVRCZIPDYHH-UHFFFAOYSA-N Synonym: Phthalic Acid Ditridecyl Ester PubChem CID: 8379 IUPAC Name: ditridecyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCC
| PubChem CID | 8379 |
|---|---|
| CAS | 75359-31-8 |
| Molecular Weight (g/mol) | 530.834 |
| MDL Number | MFCD00048451 |
| SMILES | CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCC |
| Synonym | Phthalic Acid Ditridecyl Ester |
| IUPAC Name | ditridecyl benzene-1,2-dicarboxylate |
| InChI Key | YCZJVRCZIPDYHH-UHFFFAOYSA-N |
| Molecular Formula | C34H58O4 |
4-(4-Chlorophenoxy)benzaldehyde 98.0+%, TCI America™
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CAS: 61343-99-5 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.66 MDL Number: MFCD01631895 InChI Key: BLCXBCYVCDPFEU-UHFFFAOYSA-N Synonym: 4-4-chlorophenoxy benzaldehyde,4-chloro-4'-formyldiphenyl ether,acmc-1b4h0,4-4-chlorophoxy benzaldehyde,blcxbcyvcdpfeu-uhfffaoysa,4-4-chloranylphenoxy benzaldehyde,benzaldehyde,4-4-chlorophenoxy PubChem CID: 3851764 IUPAC Name: 4-(4-chlorophenoxy)benzaldehyde SMILES: ClC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1
| PubChem CID | 3851764 |
|---|---|
| CAS | 61343-99-5 |
| Molecular Weight (g/mol) | 232.66 |
| MDL Number | MFCD01631895 |
| SMILES | ClC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1 |
| Synonym | 4-4-chlorophenoxy benzaldehyde,4-chloro-4'-formyldiphenyl ether,acmc-1b4h0,4-4-chlorophoxy benzaldehyde,blcxbcyvcdpfeu-uhfffaoysa,4-4-chloranylphenoxy benzaldehyde,benzaldehyde,4-4-chlorophenoxy |
| IUPAC Name | 4-(4-chlorophenoxy)benzaldehyde |
| InChI Key | BLCXBCYVCDPFEU-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO2 |
2,4,6-Trimethylbenzoic Acid 98.0+%, TCI America™
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CAS: 480-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00002481 InChI Key: FFFIRKXTFQCCKJ-UHFFFAOYSA-N Synonym: mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl PubChem CID: 10194 ChEBI: CHEBI:64830 IUPAC Name: 2,4,6-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C(O)=O)C(C)=C1
| PubChem CID | 10194 |
|---|---|
| CAS | 480-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:64830 |
| MDL Number | MFCD00002481 |
| SMILES | CC1=CC(C)=C(C(O)=O)C(C)=C1 |
| Synonym | mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl |
| IUPAC Name | 2,4,6-trimethylbenzoic acid |
| InChI Key | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
N4-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine 99.0+%, TCI America™
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CAS: 67219-55-0 Molecular Formula: C37H35N3O7 Molecular Weight (g/mol): 633.701 MDL Number: MFCD00010114 InChI Key: MYSNCIZBPUPZMQ-VOTWKOMSSA-N Synonym: Bz-DMT-dC PubChem CID: 2724490 IUPAC Name: N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)O
| PubChem CID | 2724490 |
|---|---|
| CAS | 67219-55-0 |
| Molecular Weight (g/mol) | 633.701 |
| MDL Number | MFCD00010114 |
| SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)O |
| Synonym | Bz-DMT-dC |
| IUPAC Name | N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide |
| InChI Key | MYSNCIZBPUPZMQ-VOTWKOMSSA-N |
| Molecular Formula | C37H35N3O7 |
2-Methyl-3-nitroaniline 98.0+%, TCI America™
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CAS: 603-83-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007731 InChI Key: HFCFJYRLBAANKN-UHFFFAOYSA-N Synonym: 2-amino-6-nitrotoluene,3-nitro-o-toluidine,benzenamine, 2-methyl-3-nitro,o-toluidine, 3-nitro,2-methyl-3-nitro-aniline,1-amino-2-methyl-3-nitrobenzene,2-nitro-6-aminotoluene,2-methyl-3-nitrobenzenamine,2-methyl-3-nitro-phenylamine,2-methyl-3-nitrophenyl amine PubChem CID: 11783 IUPAC Name: 2-methyl-3-nitroaniline SMILES: CC1=C(N)C=CC=C1[N+]([O-])=O
| PubChem CID | 11783 |
|---|---|
| CAS | 603-83-8 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00007731 |
| SMILES | CC1=C(N)C=CC=C1[N+]([O-])=O |
| Synonym | 2-amino-6-nitrotoluene,3-nitro-o-toluidine,benzenamine, 2-methyl-3-nitro,o-toluidine, 3-nitro,2-methyl-3-nitro-aniline,1-amino-2-methyl-3-nitrobenzene,2-nitro-6-aminotoluene,2-methyl-3-nitrobenzenamine,2-methyl-3-nitro-phenylamine,2-methyl-3-nitrophenyl amine |
| IUPAC Name | 2-methyl-3-nitroaniline |
| InChI Key | HFCFJYRLBAANKN-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
2,5-Dichlorobenzoic Acid 98.0+%, TCI America™
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CAS: 50-79-3 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002416 InChI Key: QVTQYSFCFOGITD-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-dichloro,unii-kp7cmr0gsd,2,5-dichlorobenzoicacid,kp7cmr0gsd,2,5-dichloro-benzoic acid,ccris 8609,pubchem3685,2,5dichlorobenzoic acid,wln: qvr bg eg,dsstox_cid_4978 PubChem CID: 5784 IUPAC Name: 2,5-dichlorobenzoic acid SMILES: OC(=O)C1=CC(Cl)=CC=C1Cl
| PubChem CID | 5784 |
|---|---|
| CAS | 50-79-3 |
| Molecular Weight (g/mol) | 191.01 |
| MDL Number | MFCD00002416 |
| SMILES | OC(=O)C1=CC(Cl)=CC=C1Cl |
| Synonym | benzoic acid, 2,5-dichloro,unii-kp7cmr0gsd,2,5-dichlorobenzoicacid,kp7cmr0gsd,2,5-dichloro-benzoic acid,ccris 8609,pubchem3685,2,5dichlorobenzoic acid,wln: qvr bg eg,dsstox_cid_4978 |
| IUPAC Name | 2,5-dichlorobenzoic acid |
| InChI Key | QVTQYSFCFOGITD-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |