Benzenoids
p-Thiocresol, 98%
CAS: 106-45-6 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.201 MDL Number: MFCD00004851 InChI Key: WLHCBQAPPJAULW-UHFFFAOYSA-N Synonym: p-toluenethiol,p-thiocresol,4-thiocresol,4-methylthiophenol,p-methylthiophenol,benzenethiol, 4-methyl,4-toluenethiol,p-tolyl mercaptan,p-thiolcresol,p-tolylthiol PubChem CID: 7811 IUPAC Name: 4-methylbenzenethiol SMILES: CC1=CC=C(C=C1)S
1,3,5-Tribromobenzene, 98%
CAS: 626-39-1 Molecular Formula: C6H3Br3 Molecular Weight (g/mol): 314.80 MDL Number: MFCD00000080 InChI Key: YWDUZLFWHVQCHY-UHFFFAOYSA-N Synonym: benzene, 1,3,5-tribromo,1,3,5-tribromo-benzene,unii-o3td0u1oaq,o3td0u1oaq,paragos 530416,1,5-tribromobenzene,pubchem9590,1,3,5-tribromobezene,benzene,3,5-tribromo,acmc-20a11o PubChem CID: 12279 IUPAC Name: 1,3,5-tribromobenzene SMILES: BrC1=CC(Br)=CC(Br)=C1
2,4-Dimethoxybenzonitrile, 99%
CAS: 4107-65-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00001786 InChI Key: RYRZSQQELLQCMZ-UHFFFAOYSA-N Synonym: benzonitrile, 2,4-dimethoxy,2,4-dimethoxy-benzonitrile,2,4-dimethoxybenzenecarbonitrile,pubchem13105,acmc-1anqc,2.4-dimethoxybenzonitril,ksc497m9f,2,4-dimethoxybenzonitrile PubChem CID: 77750 IUPAC Name: 2,4-dimethoxybenzonitrile SMILES: COC1=CC(=C(C=C1)C#N)OC
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone, 97%
CAS: 122-48-5 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00048232 InChI Key: OJYLAHXKWMRDGS-UHFFFAOYSA-N Synonym: zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl PubChem CID: 31211 ChEBI: CHEBI:68657 IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC(=C(C=C1)O)OC
Methyl 4-fluoro-3-hydroxybenzoate, 98+%
CAS: 214822-96-5 Molecular Formula: C8H7FO3 Molecular Weight (g/mol): 170.139 MDL Number: MFCD06797457 InChI Key: CUGWNEOTLGLGDG-UHFFFAOYSA-N Synonym: 4-fluoro-3-hydroxybenzoic acid methyl ester,benzoic acid, 4-fluoro-3-hydroxy-, methyl ester,pubchem3567,acmc-209fky,methyl4-fluoro-3-hydroxybenzoate,methyl 4-fluoranyl-3-oxidanyl-benzoate,3-hydroxy-4-fluorobenzoic acid methyl ester,4-fluoro-3-hydroxy-benzoic acid methyl ester,benzoic acid,4-fluoro-3-hydroxy-, methyl ester PubChem CID: 12016892 IUPAC Name: methyl 4-fluoro-3-hydroxybenzoate SMILES: COC(=O)C1=CC(=C(C=C1)F)O
4-Iodobiphenyl, 97%
CAS: 1591-31-7 Molecular Formula: C12H9I Molecular Weight (g/mol): 280.11 MDL Number: MFCD00019028 InChI Key: NXYICUMSYKIABQ-UHFFFAOYSA-N Synonym: 4-iodobiphenyl,4-iodo-1,1'-biphenyl,1,1'-biphenyl, 4-iodo,p-iodobiphenyl,4-iododiphenyl,p-phenyliodobenzene,4-biphenyl iodide,biphenyl, 4-iodo,1-iodo-4-phenyl-benzene,4-iodo-1-phenylbenzene PubChem CID: 15322 IUPAC Name: 1-iodo-4-phenylbenzene SMILES: IC1=CC=C(C=C1)C1=CC=CC=C1
4-(tert-Butoxy)phenol, 98%
CAS: 2460-87-9 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD02183556 InChI Key: CIICLJLSRUHUBY-UHFFFAOYSA-N Synonym: 4-tert-butoxy phenol,4-tert-butoxyphenol,p-tert-butoxyphenol,4-t-butoxyphenol,phenol, 4-1,1-dimethylethoxy,unii-4w56a32ou8,4-2-methylpropan-2-yl oxy phenol,phenol, p-tert-butoxy,4-tert-butoxy-phenol,acmc-209gdf PubChem CID: 2773621 IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]phenol SMILES: CC(C)(C)OC1=CC=C(C=C1)O
2-Chloro-5-methylaniline, 98%
CAS: 95-81-8 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.60 MDL Number: MFCD00007674 InChI Key: HPSCXFOQUFPEPE-UHFFFAOYSA-N Synonym: benzenamine, 2-chloro-5-methyl,6-chloro-m-toluidine,3-amino-4-chlorotoluene,2-chlor-5-methyl-aniline,2-chloro-5-methylbenzenamine,2-chloro-5-methylphenylamine,ccris 2888,2-chloro-5-methyl aniline,6-chlor-meta-toluidin,pubchem18921 PubChem CID: 66770 IUPAC Name: 2-chloro-5-methylaniline SMILES: CC1=CC=C(Cl)C(N)=C1
(+/-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, 97+%
CAS: 98327-87-8 Molecular Formula: C44H32P2 Molecular Weight (g/mol): 622.69 MDL Number: MFCD00010805 InChI Key: MUALRAIOVNYAIW-UHFFFAOYSA-N Synonym: binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene PubChem CID: 634876 IUPAC Name: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1
1-(2,6-Difluorophenyl)ethanol, 97%, Thermo Scientific Chemicals
CAS: 87327-65-9 Molecular Formula: C8H8F2O Molecular Weight (g/mol): 158.15 MDL Number: MFCD00274321 InChI Key: SIYWDKQSSDBLOA-UHFFFAOYNA-N Synonym: 1-2,6-difluorophenyl ethanol,1-2,6-difluorophenyl ethan-1-ol,2,6-difluoro-alpha-methylbenzyl alcohol,benzenemethanol,2,6-difluoro-a-methyl,2,6-difluoro-.alpha.-methylbenzyl alcohol PubChem CID: 5012075 IUPAC Name: 1-(2,6-difluorophenyl)ethanol SMILES: CC(O)C1=C(F)C=CC=C1F
1-(4-Chlorophenyl)-1-methylethylamine, 97%
CAS: 17797-11-4 Molecular Formula: C9H12ClN Molecular Weight (g/mol): 169.65 MDL Number: MFCD08669636 InChI Key: JCUUNSQUTQELEZ-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl propan-2-amine,1-4-chlorophenyl-1-methylethylamine,2-4-chlorophenyl prop-2-ylamine,4-chloro-alpha,alpha-dimethylbenzylamine,4-chlorocumylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a,,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl PubChem CID: 11030256 IUPAC Name: 2-(4-chlorophenyl)propan-2-amine SMILES: CC(C)(N)C1=CC=C(Cl)C=C1
4-Phenoxybenzyl bromide, 97%
CAS: 36881-42-2 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.134 MDL Number: MFCD04038693 InChI Key: CPIGBCFBFZSCQI-UHFFFAOYSA-N PubChem CID: 1514251 IUPAC Name: 1-(bromomethyl)-4-phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CBr
3-Methylbenzoic anhydride, 97%
CAS: 21436-44-2 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.285 MDL Number: MFCD00048083 InChI Key: DGZSQLHPEZFGSI-UHFFFAOYSA-N Synonym: 3-methylbenzoic anhydride,m-toluic anhydride,3-methylbenzene-1-carboxylic anhydride,benzoic acid, 3-methyl-, anhydride,3-methylbenzene-1-carboxylicanhydride,3-methylbenzoicanhydride,bis 3-methylbenzoic acid anhydride,3-methylbenzoyl 3-methylbenzoate,benzoic acid,3-methyl-, 1,1'-anhydride PubChem CID: 253301 IUPAC Name: (3-methylbenzoyl) 3-methylbenzoate SMILES: CC1=CC=CC(=C1)C(=O)OC(=O)C2=CC(=CC=C2)C
4-(Hydroxymethyl)benzeneboronic acid pinacol ester
CAS: 302348-51-2 Molecular Formula: C13H19BO3 Molecular Weight (g/mol): 234.102 MDL Number: MFCD09837617 InChI Key: GZZBZWITJNATOD-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135 PubChem CID: 11402050 IUPAC Name: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO
3-(Methylsulfonyl)benzeneboronic acid, 98%
CAS: 373384-18-0 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.015 MDL Number: MFCD03092935 InChI Key: HZFFUMBZBGETES-UHFFFAOYSA-N Synonym: 3-methylsulfonyl phenylboronic acid,3-methylsulfonyl phenyl boronic acid,3-methylsulfonylphenyl boronic acid,3-methanesulfonyl phenylboronic acid,3-methanesulfonyl phenyl boronic acid,3-methanesulfonylphenylboronic acid,boronic acid, 3-methylsulfonyl phenyl,3-methanesulfonylphenyl boronic acid,3-methanesulphonyl phenylboronic acid PubChem CID: 2773542 IUPAC Name: (3-methylsulfonylphenyl)boronic acid SMILES: B(C1=CC(=CC=C1)S(=O)(=O)C)(O)O