Benzene and substituted derivatives
2-Bromo-6-chlorobenzaldehyde, 98%
CAS: 64622-16-8 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00266792 InChI Key: NUGMENVSVAURGO-UHFFFAOYSA-N Synonym: 2-chloro-6-bromobenzaldehyde,benzaldehyde, 2-bromo-6-chloro,2-bromo-6-chloro-benzaldehyde PubChem CID: 13524042 IUPAC Name: 2-bromo-6-chlorobenzaldehyde SMILES: C1=CC(=C(C(=C1)Br)C=O)Cl
2-Chloro-4-fluoro-3-methylbenzoic acid, 97%, Thermo Scientific Chemicals
CAS: 173315-54-3 Molecular Formula: C8H6ClFO2 Molecular Weight (g/mol): 188.58 MDL Number: MFCD11846444 InChI Key: DBMUFFHLBXKTDM-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-4-fluoro-3-methyl,2-chloro-4-fluoro-3-methyl-benzoic acid,2-chloro-3-methyl-4-fluoro-benzoic acid,2-chloro-4-fluoro-3-methyl benzoic acid PubChem CID: 10845315 IUPAC Name: 2-chloro-4-fluoro-3-methylbenzoic acid SMILES: CC1=C(F)C=CC(C(O)=O)=C1Cl
2-Amino-3-fluorobenzonitrile, 95%
CAS: 115661-37-5 Molecular Formula: C7H5FN2 Molecular Weight (g/mol): 136.129 InChI Key: UNISSOLHERSZOW-UHFFFAOYSA-N PubChem CID: 2783392 IUPAC Name: 2-amino-3-fluorobenzonitrile SMILES: C1=CC(=C(C(=C1)F)N)C#N
Methyl 4-fluoro-3-nitrobenzoate, 98%
CAS: 329-59-9 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD00196161 InChI Key: CNJJSTPBUHAEFH-UHFFFAOYSA-N Synonym: methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate PubChem CID: 5219721 IUPAC Name: methyl 4-fluoro-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O
(R)-3-Boc-4-methyl-2,2-dioxo-1,2,3-oxathiazolidine, 97%, Thermo Scientific Chemicals
CAS: 1212136-00-9 Molecular Formula: C19H21NO7S Molecular Weight (g/mol): 407.437 MDL Number: MFCD09864994 InChI Key: RTHSATBSXDKZBN-QGZVFWFLSA-N Synonym: methyl r-3-bis 4-methoxyphenyl methyl-2,2-dioxo-1,2,3 oxathiazolidine-4-carboxylate,methyl 4r-3-bis 4-methoxyphenyl methyl-2,2-dioxo-1,2??,3-oxathiazolidine-4-carboxylate PubChem CID: 46172874 IUPAC Name: methyl (4R)-3-[bis(4-methoxyphenyl)methyl]-2,2-dioxooxathiazolidine-4-carboxylate SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3C(COS3(=O)=O)C(=O)OC
Fexofenadine hydrochloride
CAS: 153439-40-8 Molecular Formula: C32H40ClNO4 Molecular Weight (g/mol): 538.13 MDL Number: MFCD00865710 InChI Key: RRJFVPUCXDGFJB-UHFFFAOYNA-N Synonym: fexofenadine hydrochloride,fexofenadine hcl,allegra,telfast,2-4-1-hydroxy-4-4-hydroxydiphenylmethyl piperidin-1-yl butyl phenyl-2-methylpropanoic acid hydrochloride,fexofenidine hydrochloride,terfenadine carboxylate hydrochloride,mdl 16455 hydrochloride,terfenidine carboxylate hydrochloride PubChem CID: 63002 IUPAC Name: hydrogen 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid chloride SMILES: [H+].[Cl-].CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
2-Methyl-3-nitrobenzyl chloride, 97%, Thermo Scientific™
CAS: 60468-54-4 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 MDL Number: MFCD00007165 InChI Key: XZNDXQGZPOZITR-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrobenzyl chloride,1-chloromethyl-2-methyl-3-nitrobenzene,alpha-chloro-2-methyl-3-nitrotoluene,1-chloromethyl-2-methyl-3-nitro-benzene,2-methyl-3-nitrobenzylchloride,benzene, 1-chloromethyl-2-methyl-3-nitro,acmc-1b2j5,ksc497o8t,2-chloromethyl-6-nitrotoluene PubChem CID: 108947 IUPAC Name: 1-(chloromethyl)-2-methyl-3-nitrobenzene SMILES: CC1=C(CCl)C=CC=C1[N+]([O-])=O
Tris(triphenylphosphine)rhodium(I) chloride, 99.99%, (trace metal basis)
CAS: 14694-95-2 Molecular Formula: C54H45ClP3Rh Molecular Weight (g/mol): 925.23 MDL Number: MFCD00010016 InChI Key: IXAYKDDZKIZSPV-UHFFFAOYSA-M Synonym: chlorotris triphenylphosphine rhodium i,chlorotris triphenylphosphine rhodium,tris triphenylphosphine rhodium i chloride,tris triphenylphosphine chlororhodium,wilkinson's catalyst,unii-0fv534bkev,tris triphenylphosphine rhodium chloride,0fv534bkev,rhodium; triphenylphosphane; chloride PubChem CID: 84599 SMILES: [Cl-].[Rh+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
3,5-Dimethoxytoluene, 98%
CAS: 4179-19-5 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00015435 InChI Key: RIZBLVRXRWHLFA-UHFFFAOYSA-N Synonym: 3,5-dimethoxytoluene,orcinol dimethyl ether,benzene, 1,3-dimethoxy-5-methyl,5-methylresorcinol dimethyl ether,3,5-dimethoxy toluene,toluene, 3,5-dimethoxy,1,3-dimethoxy-5-methyl-benzene,pubchem17775,acmc-1ak5i PubChem CID: 77844 IUPAC Name: 1,3-dimethoxy-5-methylbenzene SMILES: COC1=CC(OC)=CC(C)=C1
5-(Chlorosulfonyl)salicylic acid, 97%
CAS: 17243-13-9 Molecular Formula: C7H5ClO5S Molecular Weight (g/mol): 236.62 MDL Number: MFCD00052974 InChI Key: SJXHSFSHNKFRLN-UHFFFAOYSA-N PubChem CID: 2777240 SMILES: OC(=O)C1=C(O)C=CC(=C1)S(Cl)(=O)=O
Ethyl 3-phenoxypropionate, 98%
CAS: 22409-91-2 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00026919 InChI Key: TXKJOPXGYSFUNC-UHFFFAOYSA-N PubChem CID: 347973 IUPAC Name: ethyl 3-phenoxypropanoate SMILES: CCOC(=O)CCOC1=CC=CC=C1
Benzoyl isothiocyanate, 98%
CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S
Ethyl 4-(trifluoromethyl)benzoate, 99%
CAS: 583-02-8 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.175 MDL Number: MFCD00013563 InChI Key: ZQDADDSPMCHZPX-UHFFFAOYSA-N Synonym: ethyl 4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid ethyl ester,4-trifluoromethylbenzoic acid, ethyl ester,pubchem16913,acmc-1cs5c,ethyl-p-trifluoromethylbenzoate,ethyl-4-trifluoromethyl benzoate,4-trifluoromethylbenzoic acid ethyl ester PubChem CID: 521827 IUPAC Name: ethyl 4-(trifluoromethyl)benzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C(F)(F)F
1-Bromo-3,5-di-tert-butylbenzene, 99%
CAS: 22385-77-9 Molecular Formula: C14H21Br Molecular Weight (g/mol): 269.226 MDL Number: MFCD00796945 InChI Key: BUOWTUULDKULFI-UHFFFAOYSA-N Synonym: 1-bromo-3,5-di-tert-butylbenzene,3,5-di-tert-butylbromobenzene,3,5-di-t-butylbromobenzene,1-bromo-3,5-di-t-butylbenzene,1-bromo-3,5-ditert-butyl benzene,benzene, 1-bromo-3,5-bis 1,1-dimethylethyl,1,5-bis tert-butyl-3-bromobenzene,acmc-1cpbo,g00018-watson-int,3,5-di-t-butyl-bromobenzene PubChem CID: 620136 IUPAC Name: 1-bromo-3,5-ditert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC(=C1)Br)C(C)(C)C
2-(Trifluoromethyl)phenyl isocyanate, 97%
CAS: 2285-12-3 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.12 MDL Number: MFCD00002008 InChI Key: GZWGTVZRRFPVAS-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isocyanate,1-isocyanato-2-trifluoromethyl benzene,benzene, 1-isocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isocyanate,o-trifluoromethylphenylisocyanate,isocyanic acid, alpha,alpha,alpha-trifluoro-o-tolyl ester,o-trifluoromethyl phenyl isocyanate,2-trifluoromethyl phenylisocyanate,2-trifluoromethyl benzenisocyanate,isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-o-tolyl ester PubChem CID: 16794 IUPAC Name: 1-isocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=O