Benzene and substituted derivatives
3-(Phenylsulfonyl)propionitrile, 99%
CAS: 10154-75-3 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.236 MDL Number: MFCD00047798 InChI Key: OVZPZPVSUAKTCM-UHFFFAOYSA-N Synonym: 3-phenylsulfonyl propionitrile,3-phenylsulfonyl propanenitrile,3-phenylsulphonyl propiononitrile,3-benzenesulfonyl propanenitrile,3-phenylsulfonylpropionitrile,acmc-1bvrh,enamine_005271,3-phenylsulfonyl propanitrile,3-phenylsulphonyl-propionitrile,propanenitrile, 3-phenylsulfonyl PubChem CID: 82413 IUPAC Name: 3-(benzenesulfonyl)propanenitrile SMILES: C1=CC=C(C=C1)S(=O)(=O)CCC#N
2-Fluoro-4-nitrobenzoic acid, 98%
CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00275565 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=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
2-Chloro-4-(trifluoromethyl)benzeneboronic acid, 96%
CAS: 254993-59-4 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD02684337 InChI Key: JKSUCAFAUNSPLO-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl phenylboronic acid,2-chloro-4-trifluoromethylphenylboronic acid,2-chloro-4-trifluoromethyl benzeneboronic acid,2-chloro-4-trifluoromethyl phenyl boronic acid,2-chloro-4-trifluoromethyl phenylboronicacid,2-chloro-4-trifluoromethylphenyl boronic acid,boronic acid, 2-chloro-4-trifluoromethyl phenyl,2-fluoro-4-iodophenylboronicacid PubChem CID: 2783251 IUPAC Name: [2-chloro-4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(Cl)C=C(C=C1)C(F)(F)F
Thermo Scientific Chemicals Fexofenadine hydrochloride
CAS: 153439-40-8 Molecular Formula: C32H40ClNO4 Molecular Weight (g/mol): 538.13 MDL Number: MFCD00865710 InChI Key: RRJFVPUCXDGFJB-UHFFFAOYNA-N 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
m-Tolualdehyde, 97%, stab. with 0.1% hydroquinone
CAS: 620-23-5 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00003374 InChI Key: OVWYEQOVUDKZNU-UHFFFAOYSA-N Synonym: m-tolualdehyde,benzaldehyde, 3-methyl,m-methylbenzaldehyde,3-tolylaldehyde,3-tolualdehyde,m-tolyl aldehyde,m-toluylaldehyde,3-methyl-benzaldehyd,unii-owh6650c4y,3-methyl benzaldehyde PubChem CID: 12105 ChEBI: CHEBI:28476 IUPAC Name: 3-methylbenzaldehyde SMILES: CC1=CC=CC(=C1)C=O
3-Bromobenzylamine hydrochloride, 98%
CAS: 39959-54-1 Molecular Formula: C7H9BrClN Molecular Weight (g/mol): 222.51 MDL Number: MFCD00012856 InChI Key: UGEQUCUBWNAUJS-UHFFFAOYSA-N Synonym: 3-bromobenzylamine hydrochloride,3-bromophenyl methanamine hydrochloride,3-bromobenzylamine hcl,3-bromobenzylaminehydrochloride,m-bromobenzylamine hydrochloride,3-bromophenyl methylamine hydrochloride,1-3-bromophenyl methanamine hydrochloride,benzenemethanamine, 3-bromo-, hydrochloride,pubchem3750,3-bromobenzyl amine hcl PubChem CID: 2724980 IUPAC Name: (3-bromophenyl)methanamine;hydrochloride SMILES: C1=CC(=CC(=C1)Br)CN.Cl
5-Fluorosalicylic acid, 97%
CAS: 345-16-4 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.112 MDL Number: MFCD00002456 InChI Key: JWPRICQKUNODPZ-UHFFFAOYSA-N Synonym: 5-fluorosalicylic acid,2-hydroxy-5-fluorobenzoic acid,benzoic acid, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxybenzoicacid,5-fluoro-2-hydroxy-benzoic acid,5fluorosalicylic acid,pubchem1382,5-fluoro-salicylic acid,2-carboxy-4-fluorophenol PubChem CID: 67658 IUPAC Name: 5-fluoro-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)O
2-Amino-5-iodobenzoic acid, 98%
CAS: 5326-47-6 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.034 MDL Number: MFCD00007849 InChI Key: GOLGILSVWFKZRQ-UHFFFAOYSA-N Synonym: 5-iodoanthranilic acid,benzoic acid, 2-amino-5-iodo,5-iodoanthranil acid,anthranilic acid, 5-iodo,2-amino-5-iodo-benzoic acid,pubchem2543,5-iodo anthranilic acid,acmc-1ays8,2-amino-5-iodobenzoicacid,5-iodo-2-aminobenzoic acid PubChem CID: 72911 IUPAC Name: 2-amino-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)N
Bis(4-hydroxyphenyl) sulfone, 99%
CAS: 80-09-1 Molecular Formula: C12H10O4S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00002350 InChI Key: VPWNQTHUCYMVMZ-UHFFFAOYSA-N Synonym: 4,4'-sulfonyldiphenol,bisphenol s,bis 4-hydroxyphenyl sulfone,phenol, 4,4'-sulfonylbis,4,4'-dihydroxydiphenyl sulfone,4-hydroxyphenyl sulfone,bis p-hydroxyphenyl sulfone,4,4'-sulfonylbisphenol,diphone c PubChem CID: 6626 ChEBI: CHEBI:34372 IUPAC Name: 4-(4-hydroxyphenyl)sulfonylphenol SMILES: OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O)C=C1
2,4-Difluorobenzeneboronic acid, 97%
CAS: 144025-03-6 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.91 MDL Number: MFCD01318998 InChI Key: QQLRSCZSKQTFGY-UHFFFAOYSA-N Synonym: 2,4-difluorobenzeneboronic acid,2,4-difluorophenyl boronic acid,2,4-fluorobenzene boronic acid,2,4-difluorophenyl boranediol,2,4-difluorophenyl-boronic acid,2,4-difluorophenylboronicacid,2 4-difluorophenylboronic acid,boronic acid, 2,4-difluorophenyl,boronic acid, b-2,4-difluorophenyl PubChem CID: 2734334 IUPAC Name: (2,4-difluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(F)C=C1F
2,4,5-Trimethoxybenzaldehyde, 98%
CAS: 4460-86-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00003312 InChI Key: IAJBQAYHSQIQRE-UHFFFAOYSA-N Synonym: asaraldehyde,asaronaldehyde,asarylaldehyde,azarylaldehyde,benzaldehyde, 2,4,5-trimethoxy,gazarin,3,4,6-trimethoxybenzaldehyde,unii-ndu8j2q00d,2,4,5-trimethoxy-benzaldehyde,ccris 1296 PubChem CID: 20525 IUPAC Name: 2,4,5-trimethoxybenzaldehyde SMILES: COC1=CC(OC)=C(C=O)C=C1OC
3-Bromo-4-methylbenzonitrile, 97%
CAS: 42872-74-2 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD06797818 InChI Key: VXUMRYMTYKDWMO-UHFFFAOYSA-N Synonym: 2-bromo-4-cyanotoluene,4-methyl-3-bromobenzonitrile,benzonitrile, 3-bromo-4-methyl,3-bromo-4-methylbenzenecarbonitrile,3-bromo-4-methyl-benzonitrile,bromo p tolunitrile,bromo-p-tolunitrile,bromo-p-toluonitrile,3-bromo-p-tolunitrile,pubchem11163 PubChem CID: 14004840 IUPAC Name: 3-bromo-4-methylbenzonitrile SMILES: CC1=C(Br)C=C(C=C1)C#N
Phenylglyoxylic acid, 98%
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
(+/-)-Atenolol
CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.341 MDL Number: MFCD00057645 InChI Key: METKIMKYRPQLGS-UHFFFAOYSA-N Synonym: atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm PubChem CID: 2249 ChEBI: CHEBI:2904 IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O