Benzene and substituted derivatives
2-Hydroxybenzophenone, 99%
CAS: 117-99-7 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002216 InChI Key: HJIAMFHSAAEUKR-UHFFFAOYSA-N Synonym: 2-hydroxybenzophenone,o-benzoylphenol,2-hydroxyphenyl phenyl methanone,o-hydroxybenzophenone,benzophenone, 2-hydroxy,methanone, 2-hydroxyphenyl phenyl,phenyl 2-hydroxyphenyl ketone,unii-lqv22w4v05,ortho-hydroxybenzophenone,2-hydroxyphenyl phenylmethanone PubChem CID: 8348 IUPAC Name: (2-hydroxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2O
5-Bromo-3-nitrosalicylaldehyde, 97%
CAS: 16634-88-1 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00130110 InChI Key: YEYPSUQQZNDKDE-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde PubChem CID: 618699 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br
(±)-Bay K 8644, Thermo Scientific Chemicals
CAS: 71145-03-4 Molecular Formula: C16H15F3N2O4 Molecular Weight (g/mol): 356.301 MDL Number: MFCD00036697 InChI Key: ZFLWDHHVRRZMEI-UHFFFAOYSA-N Synonym: methyl 2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-1,4-dihydropyridine-3-carboxylate,3-pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-, methyl ester,1,4-dihydro-2,6-dimethyl-5-nitro-4-2′-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester,bay-k-8644, +--isomer,opera_id_789,d01rad,y-bay k 8644,r-+-1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester PubChem CID: 2303 ChEBI: CHEBI:34555 IUPAC Name: methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate SMILES: CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC
N-Benzyl-p-toluenesulfonamide
CAS: 1576-37-0 Molecular Formula: C14H15NO2S Molecular Weight (g/mol): 261.339 MDL Number: MFCD00159328 InChI Key: WTHKAJZQYNKTCJ-UHFFFAOYSA-N Synonym: n-benzyl-p-toluenesulfonamide,n-tosylbenzylamine,p-toluenesulfonamide, n-benzyl,n-benzyl-p-toluenesulphonamide,n-benzyl-4-methyl-benzenesulfonamide,n-benzyl-4-methylbenzene-1-sulfonamide,n-benzyl-p-toluene sulphonamide,benzenesulfonamide, 4-methyl-n-phenylmethyl,4-methyl-n-phenylmethyl benzenesulfonamide,4-methyl-n-phenylmethyl-benzenesulfonamid PubChem CID: 95801 IUPAC Name: N-benzyl-4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2
Methotrexate disodium salt, 98.5%
CAS: 7413-34-5 Molecular Formula: C20H20N8Na2O5 Molecular Weight (g/mol): 498.411 MDL Number: MFCD00274560 InChI Key: DASQOOZCTWOQPA-GXKRWWSZSA-L Synonym: methotrexate disodium salt,sodium methotrexate,ledertrexate,methotrexate sodium,mtx disodium,methotrexate disodium,unii-3ig1e710zn,trexall,mexate,methotrexate lpf PubChem CID: 11329481 ChEBI: CHEBI:50679 IUPAC Name: disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
3-Bromo-5-nitrosalicylaldehyde, 98%
CAS: 16789-84-7 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD00051833 InChI Key: BESBCGANGAEHPM-UHFFFAOYSA-N Synonym: 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde PubChem CID: 519307 IUPAC Name: 3-bromo-2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O
2-Chlorophenylacetone, 96%
CAS: 6305-95-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045175 InChI Key: LWGNDIMNCPMZOF-UHFFFAOYSA-N Synonym: 2-chlorophenylacetone,1-2-chlorophenyl propan-2-one,1-2-chlorophenyl acetone,2-propanone, 1-2-chlorophenyl,acmc-20apcv,2-chlorphenyl acetone,1-2-chlorophenyl acetone #,1-2-chlorophenyl-2-propanone,1-2-chloro-phenyl-propan-2-one PubChem CID: 229355 IUPAC Name: 1-(2-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Cl
2-Methoxy-4-nitrophenyl isothiocyanate, 97%
CAS: 190774-55-1 Molecular Formula: C8H6N2O3S Molecular Weight (g/mol): 210.207 MDL Number: MFCD00041379 InChI Key: NXWXXLFRMVILJN-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrophenyl isothiocyanate,1-isothiocyanato-2-methoxy-4-nitro-benzene,acmc-20ans0,2-methoxy4-nitrophenyl isothiocyanate,2-methoxy-4-nitrophenylisothiocyanate,#,benzene, 1-isothiocyanato-2-methoxy-4-nitro,benzene, 1-isothiocyanato-2-methoxy-4-nitro-9ci PubChem CID: 610837 IUPAC Name: 1-isothiocyanato-2-methoxy-4-nitrobenzene SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S
2,4-Bis(trifluoromethyl)benzeneboronic acid, 97%
CAS: 153254-09-2 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.93 MDL Number: MFCD01631349 InChI Key: WLYPBMBWKYALCG-UHFFFAOYSA-N Synonym: 2,4-bis trifluoromethyl phenylboronic acid,2,4-bis trifluoromethyl benzeneboronic acid,2,4-bis trifluoromethyl phenylboronicacid,2,4-bis trifluoromethyl phenyl boronic acid,boronic acid, 2,4-bis trifluoromethyl phenyl,2,4-bis-trifluoromethylphenylboronic acid,pubchem5262,acmc-209d8w,2,4-bis trifluoromethyl phenyl,2,4-bistrifluoromethylbenzeneboronic acid PubChem CID: 2782667 IUPAC Name: [2,4-bis(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(C=C1C(F)(F)F)C(F)(F)F
4,4'-cis-Stilbenedicarboxylic acid, 95%
CAS: 133005-88-6 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.268 MDL Number: MFCD00013994 InChI Key: SBBQDUFLZGOASY-UPHRSURJSA-N Synonym: 4-z-2-4-carboxyphenyl ethenyl benzoic acid,cis-stilbene-4,4'-dicarboxylic acid,z-4,4'-ethene-1,2-diyl dibenzoic acid,cis-4,4'-dicarboxystilbene,z-4,4'-stilbene dicarboxylic acid,z-stilbene-4,4'-dicarboxylic acid,4,4'-cis-stilbenedicarboxylic acid PubChem CID: 18647961 IUPAC Name: 4-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O
N-Fluorobenzenesulfonimide, 97%
CAS: 133745-75-2 Molecular Formula: C12H10FNO4S2 Molecular Weight (g/mol): 315.333 MDL Number: MFCD00144885 InChI Key: RLKHFSNWQCZBDC-UHFFFAOYSA-N Synonym: n-fluorobenzenesulfonimide,nfsi,n-fluoro-n-phenylsulfonyl benzenesulfonamide,n-fluorodibenzenesulfonimide,n-fluorobenzensulfonimide,n-fluorobenzenesulphonimide,accufluor nfsi,n-fluorodi benzenesulfonyl amine,bis phenylsulfonyl fluoroamine,n-fluorobis phenylsulfonyl amine PubChem CID: 588007 IUPAC Name: N-(benzenesulfonyl)-N-fluorobenzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2
4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate, 97%
CAS: 23163-86-2 Molecular Formula: C8H3ClF3NS Molecular Weight (g/mol): 237.624 MDL Number: MFCD00041090 InChI Key: AHFPRSSHNSGRCU-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisothiocyanate,4-chloro-3-trifluoromethylphenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-chloro-4-isothiocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethyl benzenisothiocyanate,acmc-20amlf,pubchem5016,4-chloro-3-trifluoromethylphenylisothiocyanate PubChem CID: 520026 IUPAC Name: 1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1N=C=S)C(F)(F)F)Cl
2,5-Dimethylbenzyl alcohol, 97+%
CAS: 53957-33-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004625 InChI Key: LEBQTCCCNMTXSF-UHFFFAOYSA-N PubChem CID: 94560 IUPAC Name: (2,5-dimethylphenyl)methanol SMILES: CC1=CC(=C(C=C1)C)CO
2,4,6-Trimethylbenzyl alcohol, 98+%
CAS: 4170-90-5 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00014422 InChI Key: LODDFDHPSIYCTK-UHFFFAOYSA-N Synonym: 2,4,6-trimethylbenzyl alcohol,mesitylmethanol,mesitylcarbinol,2,4,6-trimethylphenyl methanol,unii-rev3kvt84n,benzenemethanol, 2,4,6-trimethyl,2,4,6-trimethylbenzylic alcohol,benzyl alcohol, 2,4,6-trimethyl,rev3kvt84n,2,4,6-trimethylphenyl methan-1-ol PubChem CID: 20139 IUPAC Name: (2,4,6-trimethylphenyl)methanol SMILES: CC1=CC(=C(C(=C1)C)CO)C
(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