Benzene and substituted derivatives
2-Methoxyphenylacetone, 97%
CAS: 5211-62-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00008770 InChI Key: GMBFNZCPZFVKAT-UHFFFAOYSA-N Synonym: 2-methoxyphenylacetone,1-2-methoxyphenyl propan-2-one,1-2-methoxyphenyl acetone,o-anisylacetone,o-methoxy phenyl acetone,2-acetonylanisole,o-methoxyphenylaceton,2-propanone, 1-2-methoxyphenyl,2-methoxyphenyl acetone,pubchem23387 PubChem CID: 78887 IUPAC Name: 1-(2-methoxyphenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1OC
1-(4-Fluorophenyl)-1-methylethylamine, 97%
CAS: 17797-10-3 Molecular Formula: C9H12FN Molecular Weight (g/mol): 153.20 MDL Number: MFCD07777176 InChI Key: NYFSRXOWJXAHOO-UHFFFAOYSA-N Synonym: 2-4-fluorophenyl propan-2-amine,1-4-fluorophenyl-1-methylethylamine,1-4-fluorophenyl-1-methyl-ethylamine,1-4-fluoro-phenyl-1-methyl-ethylamine,2-4-fluorophenyl prop-2-ylamine,1-methyl-1-4-fluorophenyl ethylamine,4-fluorocumylamine,pubchem16914,4-fluoro-alpha,alpha-dimethylbenzylamine,alpha,alpha-dimethyl-4-fluorobenzylamine PubChem CID: 13025665 IUPAC Name: 2-(4-fluorophenyl)propan-2-amine SMILES: CC(C)(N)C1=CC=C(F)C=C1
(R)-(-)-2-Phenylbutyric acid, 99%
CAS: 938-79-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00063165 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYNA-N Synonym: r---2-phenylbutyric acid,2r-2-phenylbutanoic acid,2-phenylbutyric acid, r,r-2-phenylbutyric acid,benzeneacetic acid, alpha-ethyl-, r,r-2-phenylbutanoic acid,2r-2-phenyl-butanoic acid,2r-2-phenyl-mutanoic acid,r---2-phenylbutanoic acid,benzeneacetic acid,a-ethyl-, ar PubChem CID: 785330 IUPAC Name: (2R)-2-phenylbutanoic acid SMILES: CCC(C(O)=O)C1=CC=CC=C1
1,3-Di-tert-butylbenzene, 99%
CAS: 1014-60-4 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD00008830 InChI Key: ILNDSSCEZZFNGE-UHFFFAOYSA-N Synonym: 1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene PubChem CID: 136810 IUPAC Name: 1,3-ditert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC=C1)C(C)(C)C
4-tert-Butylphenylacetylene, 90+%
CAS: 772-38-3 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.244 MDL Number: MFCD00190197 InChI Key: ZSYQVVKVKBVHIL-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene PubChem CID: 2757302 IUPAC Name: 1-tert-butyl-4-ethynylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C#C
Amorolfine hydrochloride, 98%
CAS: 78613-38-4 Molecular Formula: C21H35NO·HCl Molecular Weight (g/mol): 353.97 InChI Key: XZKWIPVTHGWDCF-KUZYQSSXSA-N Synonym: amorolfine hydrochloride,amorolfine hcl,loceryl,curanail,locetar,odenil,amorolfin,pekiron,amorolfine hydrochloride jan PubChem CID: 54259 ChEBI: CHEBI:59649 IUPAC Name: (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;hydrochloride SMILES: CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C.Cl
1,4-Bis(2-hydroxyisopropyl)benzene, 97%
CAS: 2948-46-1 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.274 MDL Number: MFCD00009827 InChI Key: LEARFTRDZQQTDN-UHFFFAOYSA-N Synonym: 1,4-bis 2-hydroxy-2-propyl benzene,1,4-bis 1-methyl-1-hydroxyethyl benzene,alpha,alpha,alpha',alpha'-tetramethyl-1,4-benzenedimethanol,unii-g785drb5xh,p-bis 2-hydroxyisopropyl benzene,1,4-bis 2-hydroxyisopropyl benzene,p-bis alpha-hydroxyisopropyl benzene,g785drb5xh,alpha,alpha'-dihydroxy-p-diisopropylbenzene,alpha,alpha,alpha',alpha'-tetramethyl-p-xylylenediol PubChem CID: 18062 IUPAC Name: 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C)O)O
Cumyl hydroperoxide, tech. 80%
CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N Synonym: cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene PubChem CID: 6629 ChEBI: CHEBI:78673 IUPAC Name: 2-hydroperoxypropan-2-ylbenzene SMILES: CC(C)(OO)C1=CC=CC=C1
1-Bromo-4-n-propylbenzene, 99%
CAS: 588-93-2 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00012456 InChI Key: NUPWGLKBGVNSJX-UHFFFAOYSA-N Synonym: 1-bromo-4-n-propylbenzene,4-bromo-n-propylbenzene,1-4'-bromophenyl propane,1-bromo-4-propyl-benzene,benzene, 1-bromo-4-propyl,4-propylbromobenzene,4-propyl bromobenzene,4-n-propylbromobenzene,4-propylphenyl bromide,pubchem10762 PubChem CID: 136374 IUPAC Name: 1-bromo-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)Br
Benzethonium Chloride, USP, 97-103%, Spectrum™ Chemical
CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.09 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M IUPAC Name: benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride SMILES: [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1
1-tert-Butyl-3-ethylbenzene, 98%
CAS: 14411-56-4 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00060845 InChI Key: MUJPTTGNHRHIPH-UHFFFAOYSA-N PubChem CID: 139753 IUPAC Name: 1-tert-butyl-3-ethylbenzene SMILES: CCC1=CC(=CC=C1)C(C)(C)C
4-tert-Butylbenzoic acid, 99%
CAS: 98-73-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00002563 InChI Key: KDVYCTOWXSLNNI-UHFFFAOYSA-N Synonym: 4-tert-butyl benzoic acid,tbba,p-tert-butylbenzoic acid,benzoic acid, 4-1,1-dimethylethyl,4-t-butylbenzoic acid,benzoic acid, p-tert-butyl,4-tert-butyl-benzoic acid,p-t-butylbenzoic acid,4-tert-butylbenzoicacid,unii-43z7t3vn0r PubChem CID: 7403 ChEBI: CHEBI:34443 IUPAC Name: 4-tert-butylbenzoic acid SMILES: CC(C)(C)C1=CC=C(C=C1)C(O)=O
2,3,4,5,6-Pentafluorobenzyl bromide, 97%
CAS: 1765-40-8 Molecular Formula: C7H2BrF5 Molecular Weight (g/mol): 260.989 MDL Number: MFCD00000299 InChI Key: XDEPVFFKOVDUNO-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzyl bromide,pentafluorobenzyl bromide,1-bromomethyl-2,3,4,5,6-pentafluorobenzene,1-bromomethylpentafluorobenzene,alpha-bromo-2,3,4,5,6-pentafluorotoluene,bromomethyl pentafluorobenzene,benzene, bromomethyl pentafluoro,2,3,4,5,6-pentafluorobenzylbromide,pfbbr,pentafluorobenzylbromide PubChem CID: 74484 IUPAC Name: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)Br
4-Fluoro-3-(hydroxymethyl)benzeneboronic acid, 98%
CAS: 481681-02-1 Molecular Formula: C7H8BFO3 Molecular Weight (g/mol): 169.95 MDL Number: MFCD08235075 InChI Key: PWMOQHMTXJYUGE-UHFFFAOYSA-N Synonym: 4-fluoro-3-hydroxymethyl phenyl boronic acid,4-fluoro-3-hydroxymethyl phenylboronic acid,4-fluoro-3-hydroxymethyl benzeneboronic acid,4-fluoro-3-hydroxymethylphenylboronic acid,boronic acid, 4-fluoro-3-hydroxymethyl phenyl,boronic acid,b-4-fluoro-3-hydroxymethyl phenyl,pubchem23767,acmc-209kcj,ksc496e1t PubChem CID: 21865588 IUPAC Name: [4-fluoro-3-(hydroxymethyl)phenyl]boronic acid SMILES: OCC1=C(F)C=CC(=C1)B(O)O
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