Benzenoids
4-Methyl-3-nitrobenzaldehyde, 98%
CAS: 31680-07-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00017011 InChI Key: KHWGAWBXQOKXIJ-UHFFFAOYSA-N Synonym: 3-nitro-p-tolualdehyde,4-methyl-3-nitro-benzaldehyde,3-nitro-4-methylbenzaldehyde,benzaldehyde, 4-methyl-3-nitro,methylnitrobenzaldehyde,pubchem8157,acmc-209hod,4-methyl-3-nitrobenzaldehyde PubChem CID: 1798998 IUPAC Name: 4-methyl-3-nitrobenzaldehyde SMILES: CC1=CC=C(C=O)C=C1[N+]([O-])=O
3,4,5-Trimethoxybenzylamine, 96%
CAS: 18638-99-8 Molecular Formula: C10H15NO3 Molecular Weight (g/mol): 197.234 MDL Number: MFCD00017150 InChI Key: YUPUSBMJCFBHAP-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine PubChem CID: 87736 IUPAC Name: (3,4,5-trimethoxyphenyl)methanamine SMILES: COC1=CC(=CC(=C1OC)OC)CN
2,5-Dichloroanisole, 98%
CAS: 1984-58-3 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.02 MDL Number: MFCD00061123 InChI Key: QKMNFFSBZRGHDJ-UHFFFAOYSA-N Synonym: 2,5-dichloroanisole,benzene, 1,4-dichloro-2-methoxy,2,5-dichloromethoxybenzene,banair,anisole, 2,5-dichloro,unii-8b3j0y3cj1,2,5-dichloroanizole,pubchem3681,dsstox_cid_7452 PubChem CID: 16125 IUPAC Name: 1,4-dichloro-2-methoxybenzene SMILES: COC1=CC(Cl)=CC=C1Cl
3,3'-Diaminodiphenyl sulfone, 98%
CAS: 599-61-1 Molecular Formula: C12H12N2O2S Molecular Weight (g/mol): 248.30 MDL Number: MFCD00007792 InChI Key: LJGHYPLBDBRCRZ-UHFFFAOYSA-N Synonym: 3,3'-sulfonyldianiline,3,3'-diaminodiphenyl sulfone,3-aminophenyl sulfone,benzenamine, 3,3'-sulfonylbis,3,3'-sulphonyldianiline,bis m-aminophenyl sulfone,3-aminophenyl-sulfone,3,3'-diaminophenyl sulfone,3,3'-sulfonylbis aniline,sulfone, bis m-aminophenyl PubChem CID: 11741 IUPAC Name: 3-(3-aminophenyl)sulfonylaniline SMILES: NC1=CC(=CC=C1)S(=O)(=O)C1=CC(N)=CC=C1
2-Aminoindane hydrochloride, 98%
CAS: 2338-18-3 Molecular Formula: C9H11ClN Molecular Weight (g/mol): 168.64 MDL Number: MFCD00012549 InChI Key: DLYRFJDJKGGVKT-UHFFFAOYSA-N Synonym: 2-aminoindan hydrochloride,2-aminoindane hydrochloride,2,3-dihydro-1h-inden-2-amine hydrochloride,2-aminoindane hcl,2-indanamine hydrochloride,2-indanamine, hydrochloride,2-indanylamine hydrochloride,su 8629 hydrochloride,indan-2-ylammonium chloride,indan-2-ylamine hydrochloride PubChem CID: 122764 IUPAC Name: 2,3-dihydro-1H-inden-2-amine;hydrochloride SMILES: [Cl].NC1CC2=CC=CC=C2C1
Miconazole, free base, MP Biomedicals™
CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N Synonym: miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm PubChem CID: 4189 ChEBI: CHEBI:82892 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
4-(Ethylthio)benzaldehyde, 97+%
CAS: 84211-94-9 Molecular Formula: C9H10OS Molecular Weight (g/mol): 166.238 MDL Number: MFCD01318145 InChI Key: LPRKZLUVZOFDDT-UHFFFAOYSA-N Synonym: 4-ethylthio benzaldehyde,4-ethylsulfanyl benzaldehyde,4-ethylthiobenzaldehyde,4-ethylsulfanyl-benzaldehyde,benzaldehyde,4-ethylthio PubChem CID: 7006654 IUPAC Name: 4-ethylsulfanylbenzaldehyde SMILES: CCSC1=CC=C(C=C1)C=O
Miconazole Free Base MP Biomedicals
CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N Synonym: miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm PubChem CID: 4189 ChEBI: CHEBI:82892 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
2-(4-tert-Butylphenyl)ethanol, 96%
CAS: 5406-86-0 Molecular Formula: C12H18O Molecular Weight (g/mol): 178.275 MDL Number: MFCD00236023 InChI Key: NZGMMENPUKHODD-UHFFFAOYSA-N Synonym: 2-4-tert-butylphenyl ethanol,2-4-tert-butyl phenyl ethanol,p-tert-butylphenethyl alcohol,p-tert-butyl phenethyl alcohol,phenethyl alcohol, p-tert-butyl,4-tert-butylphenethyl alcohol,unii-aes74i7nru,aes74i7nru,benzeneethanol, 4-1,1-dimethylethyl PubChem CID: 79410 IUPAC Name: 2-(4-tert-butylphenyl)ethanol SMILES: CC(C)(C)C1=CC=C(C=C1)CCO
2-Chloro-5-(trifluoromethyl)phenylacetic acid, 97%
CAS: 22893-39-6 Molecular Formula: C9H6ClF3O2 Molecular Weight (g/mol): 238.59 MDL Number: MFCD01631471 InChI Key: PDKWZFJSOMUXLE-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenylacetic acid,2-2-chloro-5-trifluoromethyl phenyl acetic acid,2-chloro-5-trifluoromethyl phenyl acetic acid,pubchem7160,acmc-20anz9,2-chloro-5-trifluoromethyl-phenyl-acetic acid,benzeneacetic acid, 2-chloro-5-trifluoromethyl PubChem CID: 2778119 IUPAC Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC(=CC=C1Cl)C(F)(F)F
Ethyl 4-(bromomethyl)benzoate, 96%
CAS: 26496-94-6 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.10 MDL Number: MFCD03791307 InChI Key: TWQLMAJROCNXEA-UHFFFAOYSA-N Synonym: ethyl 4-bromomethyl benzoate,4-bromomethyl benzoic acid ethyl ester,4-bromomethyl-benzoic acid ethyl ester,4-ethoxycarbonylbenzyl bromide,benzoic acid, 4-bromomethyl-, ethyl ester,zlchem 925,acmc-1cknv,4-carboethoxy-benzylbromide,4-carboethoxybenzyl bromide,ethyl 4-bromomethyl-benzoate PubChem CID: 954261 IUPAC Name: ethyl 4-(bromomethyl)benzoate SMILES: CCOC(=O)C1=CC=C(CBr)C=C1
3-Bromo-4-chlorobenzoic acid, 97%
CAS: 42860-10-6 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.46 MDL Number: MFCD00079706 InChI Key: NLEPZGNUPNMRGF-UHFFFAOYSA-N Synonym: 3-bromo-4-chloro-benzoic acid,benzoic acid, 3-bromo-4-chloro,4-chloro-3-bromobenzoic acid,pubchem3585,acmc-1cufe,3-bromo-4-chlorobenzoicacid,ksc235m9l,timtec-bb sbb017622,zerenex e/9071912 PubChem CID: 2735544 IUPAC Name: 3-bromo-4-chlorobenzoic acid SMILES: OC(=O)C1=CC(Br)=C(Cl)C=C1
Benzhydryl isothiocyanate, 97%, Thermo Scientific Chemicals
CAS: 3550-21-8 Molecular Formula: C14H11NS Molecular Weight (g/mol): 225.31 MDL Number: MFCD00046815 InChI Key: WDOSFTZMBFYTED-UHFFFAOYSA-N Synonym: benzhydryl isothiocyanate,isothiocyanatodiphenylmethane,benzhydrylisothiocyanate,isothiocyanato phenyl methyl benzene,diphenylmethylisothiocyanate,benzene, 1,1'-isothiocyanatomethylene bis,diphenylmethanisothiocyanate,acmc-20alq6,benzhydryl-isothiocyanate,benzhydryl isothio-cyanate PubChem CID: 520742 IUPAC Name: [isothiocyanato(phenyl)methyl]benzene SMILES: S=C=NC(C1=CC=CC=C1)C1=CC=CC=C1
2,4-Dichloro-6-iodoaniline, 97%
CAS: 697-90-5 Molecular Formula: C6H4Cl2IN Molecular Weight (g/mol): 287.909 MDL Number: MFCD00007661 InChI Key: YJRSMJTVXWBFJJ-UHFFFAOYSA-N Synonym: 2,4-dichloro-6-iodobenzenamine,2,4-dichloro-6-iodophenylamine,4,6-dichloro-2-iodophenylamine,2,4-dichloro-6-iodo-phenylamine,benzenamine,2,4-dichloro-6-iodo,benzenamine, 2,4-dichloro-6-iodo,1-amino-2,4-dichloro-6-iodobenzene PubChem CID: 7577525 IUPAC Name: 2,4-dichloro-6-iodoaniline SMILES: C1=C(C=C(C(=C1Cl)N)I)Cl
Potassium 4-fluorophenyltrifluoroborate, 95%
CAS: 192863-35-7 Molecular Formula: C6H4BF4K Molecular Weight (g/mol): 202 MDL Number: MFCD01318170 InChI Key: PXKNUQDMYBUYSZ-UHFFFAOYSA-N Synonym: potassium 4-fluorophenyltrifluoroborate,potassium trifluoro 4-fluorophenyl borate,potassium trifluoro 4-fluorophenyl boranuide,potassium 4-fluorophenyl trifluoroborate,4-fluorophenyl-trifluoroborate potassium salt,4-fluorophenyltrifluoroboric acid potassium salt,4-fluorobenzenetrifluoroboric acid potassium salt,pubchem11422,potassiotrifluoro 4-fluorophenyl boron v,potassium trifluoro-4-fluorophenyl boranuide PubChem CID: 23677644 IUPAC Name: potassium;trifluoro-(4-fluorophenyl)boranuide SMILES: [B-](C1=CC=C(C=C1)F)(F)(F)F.[K+]