Benzenoids
Di-n-octyl phthalate, 98%
CAS: 117-84-0 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00015292 InChI Key: MQIUGAXCHLFZKX-UHFFFAOYSA-N Synonym: dioctyl phthalate,di-n-octyl phthalate,dinopol nop,n-octyl phthalate,vinicizer 85,phthalic acid, dioctyl ester,polycizer 162,dnop,phthalic acid di-n-octyl ester,dioctyl 1,2-benzenedicarboxylate PubChem CID: 8346 ChEBI: CHEBI:34679 IUPAC Name: dioctyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
Methyltriphenylphosphonium Bromide, 98%
CAS: 1779-49-3 Molecular Formula: C19H18BrP Molecular Weight (g/mol): 357.23 MDL Number: MFCD00011804 InChI Key: LSEFCHWGJNHZNT-UHFFFAOYSA-M Synonym: methyltriphenylphosphonium bromide,methyltriphenylphosphanium bromide,triphenylmethylphosphonium bromide,methyl triphenylphosphonium bromide,methyl triphenyl phosphonium bromide,phosphonium, methyltriphenyl-, bromide,methyltriphenylphosphoniumbromide,methyl-triphenyl-phosphonium bromide PubChem CID: 74505 IUPAC Name: methyl(triphenyl)phosphanium;bromide SMILES: [Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Ellagic Acid, MP Biomedicals™
CAS: 476-66-4 Molecular Formula: C14H6O8 Molecular Weight (g/mol): 302.19 MDL Number: MFCD00006914 InChI Key: AFSDNFLWKVMVRB-UHFFFAOYSA-N Synonym: ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique PubChem CID: 5281855 ChEBI: CHEBI:4775 IUPAC Name: 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione SMILES: OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O
(±)-Verapamil Hydrochloride, MP Biomedicals™
CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
tert-Butylbenzene, 99%
CAS: 98-06-6 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00008816 InChI Key: YTZKOQUCBOVLHL-UHFFFAOYSA-N Synonym: t-butylbenzene,benzene, 1,1-dimethylethyl,benzene, tert-butyl,2-methyl-2-phenylpropane,phenyltrimethylmethane,pseudobutylbenzene,dimethylethylbenzene,trimethylphenylmethane,1,1-dimethylethylbenzene,tert-butyl benzene PubChem CID: 7366 IUPAC Name: tert-butylbenzene SMILES: CC(C)(C)C1=CC=CC=C1
o-Cresol, 98+%
CAS: 95-48-7 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00002226 InChI Key: QWVGKYWNOKOFNN-UHFFFAOYSA-N Synonym: o-cresol,2-hydroxytoluene,o-methylphenol,2-cresol,phenol, 2-methyl,orthocresol,o-cresylic acid,o-oxytoluene,o-toluol,o-hydroxytoluene PubChem CID: 335 ChEBI: CHEBI:28054 IUPAC Name: 2-methylphenol SMILES: CC1=CC=CC=C1O
Ethyl 4-aminobenzoate, 98%
CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1
4-Trifluoromethyl-o-phenylenediamine, 98%
CAS: 368-71-8 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00042456 InChI Key: RQWJHUJJBYMJMN-UHFFFAOYSA-N Synonym: 3,4-diaminobenzotrifluoride,4-trifluoromethyl benzene-1,2-diamine,4-trifluoromethyl-1,2-phenylenediamine,4-trifluoromethyl-o-phenylenediamine,1,2-benzenediamine, 4-trifluoromethyl,4-trifluoromethyl-1,2-benzenediamine,3,4-diamino-benzotrifluoride,3,4-diamino benzotrifluoride PubChem CID: 520822 IUPAC Name: 4-(trifluoromethyl)benzene-1,2-diamine SMILES: C1=CC(=C(C=C1C(F)(F)F)N)N
2-Bromobenzaldehyde, 97%
CAS: 6630-33-7 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003300 InChI Key: NDOPHXWIAZIXPR-UHFFFAOYSA-N Synonym: o-bromobenzaldehyde,benzaldehyde, 2-bromo,benzaldehyde, o-bromo,2-bromo benzaldehyde,bromobenzaldehyde,bromo benzaldehyde,o-bromo-benzaldehyde,2-formylbromobenzene,2-bromo-benzaldehyde,benzaldehyde, bromo PubChem CID: 81129 IUPAC Name: 2-bromobenzaldehyde SMILES: BrC1=CC=CC=C1C=O
Benzoylformic acid, 97%
CAS: 611-73-4 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.13 MDL Number: MFCD00002575 InChI Key: FAQJJMHZNSSFSM-UHFFFAOYSA-N Synonym: benzoylformic acid,phenylglyoxylic acid,oxophenylacetic acid,benzeneglyoxylic acid,phenylgloxylic acid,2-phenylethanoic acid,oxo phenyl acetic acid,benzoylformate,phenylglyoxalate,phenyloxoacetic acid PubChem CID: 11915 ChEBI: CHEBI:18280 IUPAC Name: 2-oxo-2-phenylacetic acid SMILES: OC(=O)C(=O)C1=CC=CC=C1
4-tert-Butylphenol, 97%
CAS: 98-54-4 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002367 InChI Key: QHPQWRBYOIRBIT-UHFFFAOYSA-N Synonym: 4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol PubChem CID: 7393 ChEBI: CHEBI:34444 IUPAC Name: 4-tert-butylphenol SMILES: CC(C)(C)C1=CC=C(C=C1)O
Cholesteryl benzoate, 98%
CAS: 604-32-0 Molecular Formula: C34H50O2 Molecular Weight (g/mol): 490.77 MDL Number: MFCD00003635 InChI Key: UVZUFUGNHDDLRQ-UHFFFAOYNA-N Synonym: cholesteryl benzoate,cholesterol benzoate,3b-benzoyloxy cholest-5-ene,unii-n09h13shlb,n09h13shlb,cholest-5-ene-3-beta-yl benzoate,cholest-5-en-3-ol 3.beta.-, benzoate,5-cholesten-3.beta.-ol benzoate,cholest-5-en-3-ol 3beta-, benzoate PubChem CID: 2723613 SMILES: CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1=CC=CC=C1
4-Chloro-3-methylphenol, 99+%
CAS: 59-50-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 MDL Number: MFCD00002323 InChI Key: CFKMVGJGLGKFKI-UHFFFAOYSA-N Synonym: chlorocresol,4-chloro-m-cresol,baktol,parol,p-chloro-m-cresol,ottafact,phenol, 4-chloro-3-methyl,4-chloro-3-cresol,candaseptic,baktolan PubChem CID: 1732 ChEBI: CHEBI:34395 IUPAC Name: 4-chloro-3-methylphenol SMILES: CC1=C(C=CC(=C1)O)Cl
alpha,alpha'-Dibromo-p-xylene, 97%
CAS: 623-24-5 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.95 MDL Number: MFCD00000182 InChI Key: RBZMSGOBSOCYHR-UHFFFAOYSA-N Synonym: 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 PubChem CID: 69335 IUPAC Name: 1,4-bis(bromomethyl)benzene SMILES: C1=CC(=CC=C1CBr)CBr