Benzenoids
3-(tert-Butyldimethylsiloxy)thiophenol, 95%, Thermo Scientific Chemicals
CAS: 216393-56-5 Molecular Formula: C12H20OSSi Molecular Weight (g/mol): 240.44 MDL Number: MFCD01318115 InChI Key: KRHCTXFJCFMFOR-UHFFFAOYSA-N Synonym: 3-tert-butyldimethylsilyl oxy benzenethiol,3-tert-butyldimethylsiloxy thiophenol,acmc-20ani3,3-tert-butyl-dimethylsiloxy-thiophenol,3-tert-butyldimethylsilyloxy benzenethiol,3-t-butyl-dimethyl-silanyloxy-benzenethiol,3-tert-butyl-dimethyl-silanyloxy-benzenethiol,3-tert-butyl dimethyl silyl oxy benzene-1-thiol,3-1,1-dimethylethyl dimethyl silyl oxy benzenethiol PubChem CID: 21976868 SMILES: CC(C)(C)[Si](C)(C)OC1=CC(S)=CC=C1
1-Ethynylpyrene, 96%
CAS: 34993-56-1 Molecular Formula: C18H10 Molecular Weight (g/mol): 226.28 MDL Number: MFCD02093933 InChI Key: VEBUBSLYGRMOSZ-UHFFFAOYSA-N Synonym: 1-ethynyl pyrene,pyrene, 1-ethynyl,ethynylpyrene,1-pyrenylethyne,ccris 4256,acmc-20aov2 PubChem CID: 154905 IUPAC Name: 1-ethynylpyrene SMILES: C#CC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
2-Iodobenzaldehyde, 98%
CAS: 26260-02-6 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039570 InChI Key: WWKKTHALZAYYAI-UHFFFAOYSA-N Synonym: benzaldehyde, 2-iodo,o-iodobenzaldehyde,iodobenzaldehyde,benzaldehyde,iodo,2-iodobenzenealdehyde,pubchem3914,acmc-209upi,2-iodobenzaldehyde,ksc203m8l PubChem CID: 643439 IUPAC Name: 2-iodobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)I
3-Formyl-4-methoxybenzeneboronic acid, 98%
CAS: 121124-97-8 Molecular Formula: C8H9BO4 Molecular Weight (g/mol): 179.966 MDL Number: MFCD02093661 InChI Key: YJQDBKGGRPJSOI-UHFFFAOYSA-N Synonym: 3-formyl-4-methoxybenzeneboronic acid,3-formyl-4-methoxyphenyl boronic acid,4-borono-2-formylanisole,5-borono-2-methoxybenzaldehyde,5-borono-o-anisaldehyde,3-formyl-4-methoxylphenylboronic acid,boronic acid, 3-formyl-4-methoxyphenyl,5-dihydroxyboryl-2-methoxybenzaldehyde,3-formyl-4-methoxy-phenyl boronic acid PubChem CID: 2759225 IUPAC Name: (3-formyl-4-methoxyphenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)OC)C=O)(O)O
(R)-(-)-1-Benzyl-3-aminopyrrolidine, 99%, ee 99%
CAS: 114715-39-8 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.26 MDL Number: MFCD00082638 InChI Key: HBVNLKQGRZPGRP-LLVKDONJSA-N Synonym: r---1-benzyl-3-aminopyrrolidine,r-1-benzyl-3-aminopyrrolidine,r-1-benzylpyrrolidin-3-amine,3r---1-benzyl-3-aminopyrrolidine,3r-1-benzylpyrrolidin-3-amine,r-3-amino-1-n-benzyl-pyrrolidine,r-n-benzyl-3-aminopyrrolidine,3-pyrrolidinamine, 1-phenylmethyl-, 3r,r-3-amino-1-benzylpyrrolidine,3r-1-benzyl-3-pyrrolidinamine PubChem CID: 1519354 IUPAC Name: (3R)-1-benzylpyrrolidin-3-amine SMILES: N[C@@H]1CCN(CC2=CC=CC=C2)C1
3-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride, 97%
CAS: 351003-46-8 Molecular Formula: C7H3BrClF3O2S Molecular Weight (g/mol): 323.508 MDL Number: MFCD03094393 InChI Key: YBUJCZFWJSUTSN-UHFFFAOYSA-N Synonym: 3-bromo-5-trifluoromethyl benzenesulfonyl chloride,3-bromo-5-trifluoromethyl benzene-1-sulfonyl chloride,3-bromo-5-trifluoromethyl benzenesulphonylchloride,3-bromo-5-trifluoromethyl benzene sulphonyl chloride,5-bromo-3-trifluoromethyl phenyl chlorosulfone,3-bromo-5-trifluoromethylphenylsulphonyl chloride,3-bromo-5-trifluoromethyl benzenesulphonyl chloride,benzenesulfonylchloride, 3-bromo-5-trifluoromethyl,3-bromo-5-trifluoromethylphenylsulfonyl chloride,3-bromo-5-trifluoromethyl benzenesulfonylchloride PubChem CID: 2778610 IUPAC Name: 3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=C(C=C(C=C1S(=O)(=O)Cl)Br)C(F)(F)F
4-Cyano-2-fluorobenzoic acid, 98%
CAS: 164149-28-4 Molecular Formula: C8H4FNO2 Molecular Weight (g/mol): 165.12 MDL Number: MFCD03094454 InChI Key: KEJMSTJTAWACNI-UHFFFAOYSA-N Synonym: 2-fluoro-4-cyanobenzoic acid,benzoic acid, 4-cyano-2-fluoro,4-cyano-2-fluoro-benzoic acid,4-cyano-2-fluorobenzoicacid,pubchem4603,acmc-1bzbk,intermediates-zcf02232,2-fluoro4-cyanobenzoic acid,ksc489o1d,4-carboxy-3-fluorobenzonitrile PubChem CID: 590659 IUPAC Name: 4-cyano-2-fluorobenzoic acid SMILES: OC(=O)C1=C(F)C=C(C=C1)C#N
4-Methyl-beta-styrylboronic acid pinacol ester, 98%
CAS: 149777-84-4 Molecular Formula: C15H21BO2 Molecular Weight (g/mol): 244.141 MDL Number: MFCD03788749 InChI Key: HHBWKASJNTZJLB-ZHACJKMWSA-N Synonym: 4-methyl-beta-styrylboronic acid pinacol ester,e-4,4,5,5-tetramethyl-2-4-methylstyryl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-e-2-4-methylphenyl ethenyl-1,3,2-dioxaborolane,4-methyl-b-styrylboronic acid pinacol ester,4-methyl-,a-styrylboronic acid pinacol ester,2-e-4-methylstyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,beta-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl 4-methylstyrene PubChem CID: 11042960 IUPAC Name: 4,4,5,5-tetramethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C=CC2=CC=C(C=C2)C
4-(Ethylsulfonyl)benzeneboronic acid, 98+%
CAS: 352530-24-6 Molecular Formula: C8H11BO4S Molecular Weight (g/mol): 214.042 MDL Number: MFCD02093076 InChI Key: CVBNDDGEVPNUNA-UHFFFAOYSA-N Synonym: 4-ethylsulfonyl phenylboronic acid,4-ethylsulfonyl phenyl boronic acid,4-ethanesulfonyl benzeneboronic acid,4-ethanesulfonyl phenylboronic acid,4-ethylsulfonylphenyl boronic acid,4-ethylsulphonyl benzeneboronic acid,boronic acid, 4-ethylsulfonyl phenyl,4-ethanesulfonyl phenyl boranediol,4-ethanesulphonyl benzeneboronic acid PubChem CID: 2773420 IUPAC Name: (4-ethylsulfonylphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)S(=O)(=O)CC)(O)O
2-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis
CAS: 745783-91-9 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.13 MDL Number: MFCD08533288 InChI Key: HBOSPPHIPGYHDI-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylglyoxal hydrate,2-oxo-2-2-trifluoromethyl phenyl acetaldehyde hydrate,2-oxo-2-2-trifluoromethyl phenyl ethanal, oxamethane,benzeneacetaldehyde, a-oxo-2-trifluoromethyl-,hydrate 1:1 PubChem CID: 2783281 IUPAC Name: 2-oxo-2-[2-(trifluoromethyl)phenyl]acetaldehyde;hydrate SMILES: FC(F)(F)C1=CC=CC=C1C(=O)C=O
5-tert-Butyl-2-methoxybenzeneboronic acid, 98+%, Thermo Scientific Chemicals
CAS: 128733-85-7 Molecular Formula: C11H17BO3 Molecular Weight (g/mol): 208.064 MDL Number: MFCD06201034 InChI Key: LXFOJKCQSAYVMF-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl PubChem CID: 14740579 IUPAC Name: (5-tert-butyl-2-methoxyphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O
4-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis
CAS: 1736-56-7 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.132 MDL Number: MFCD05664098 InChI Key: BGOMXTCPIUNFKR-UHFFFAOYSA-N Synonym: 2-oxo-2-4-trifluoromethyl phenyl acetaldehyde,2-oxo-2-4-trifluoromethyl phenyl ethanal,2-oxidanylidene-2-4-trifluoromethyl phenyl ethanal,4-trifluoromethylphenyl oxo acetaldehyde,oxo 4-trifluoromethyl phenyl acetaldehyde,1-4-trifluoromethyl phenyl-1,2-ethanedione PubChem CID: 2783286 IUPAC Name: 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde SMILES: C1=CC(=CC=C1C(=O)C=O)C(F)(F)F
3-Iodoaniline, 98%
CAS: 626-01-7 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.025 MDL Number: MFCD00007781 InChI Key: FFCSRWGYGMRBGD-UHFFFAOYSA-N Synonym: m-iodoaniline,benzenamine, 3-iodo,aniline, m-iodo,m-aminoiodobenzene,3-iodobenzenamine,1-amino-3-iodobenzene,3-iodo-phenylamine,3iodoaniline,3-iodo-aniline,3-iodophenylamine PubChem CID: 12271 IUPAC Name: 3-iodoaniline SMILES: C1=CC(=CC(=C1)I)N
2-Bromo-4-chloroaniline, 98%
CAS: 873-38-1 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.467 MDL Number: MFCD00041313 InChI Key: SYTBIFURTZACKR-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-4-chloro,1-amino-2-bromo-4-chlorobenzene,2-bromo-4-chloro-phenylamine,2-bromo-4-chloro aniline,2-bromo-4-chlorophenylamine,pubchem3576,acmc-1bkdm,2-bromo-4-chloro-aniline,4-chloro-2-bromoaniline,2-bromo-4-chloroaniline PubChem CID: 70110 IUPAC Name: 2-bromo-4-chloroaniline SMILES: C1=CC(=C(C=C1Cl)Br)N
Ethyl 3-chlorobenzoate, 98+%
CAS: 1128-76-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00013634 InChI Key: LVFRSNCBCHABAM-UHFFFAOYSA-N Synonym: benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056 PubChem CID: 70785 IUPAC Name: ethyl 3-chlorobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Cl