Benzene and substituted derivatives
4-(tert-Butyl)phenyl isocyanate, 97%, Thermo Scientific™
CAS: 1943-67-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00040718 InChI Key: WUWBDQJTQTVBSQ-UHFFFAOYSA-N Synonym: 4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate PubChem CID: 2735695 IUPAC Name: 1-tert-butyl-4-isocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=O
Acetylsalicylic acid, 99%, Thermo Scientific Chemicals
CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O
Salicylic acid, sodium salt, 99+%, Thermo Scientific Chemicals
CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Ambrisentan, Thermo Scientific Chemicals
CAS: 177036-94-1 Molecular Formula: C22H22N2O4 Molecular Weight (g/mol): 378.43 InChI Key: OUJTZYPIHDYQMC-UHFFFAOYNA-N IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid SMILES: COC(C(OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1
o-Toluidine, 99%, Thermo Scientific Chemicals
CAS: 95-53-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00007730 InChI Key: RNVCVTLRINQCPJ-UHFFFAOYSA-N Synonym: o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine PubChem CID: 7242 ChEBI: CHEBI:66892 IUPAC Name: 2-methylaniline SMILES: CC1=CC=CC=C1N
Diflunisal, Thermo Scientific Chemicals
CAS: 22494-42-4 Molecular Formula: C13H8F2O3 Molecular Weight (g/mol): 250.20 MDL Number: MFCD00057834 InChI Key: HUPFGZXOMWLGNK-UHFFFAOYSA-N Synonym: diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum PubChem CID: 3059 ChEBI: CHEBI:39669 IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F
p-Quinquephenyl, 98%, Thermo Scientific Chemicals
CAS: 3073-05-0 Molecular Formula: C30H22 Molecular Weight (g/mol): 382.506 MDL Number: MFCD00059012 InChI Key: OMCUOJTVNIHQTI-UHFFFAOYSA-N Synonym: p-quinquephenyl,p-pentaphenyl,1,1':4',1:4,1':4',1-quinquephenyl,p-quinquiphenyl,acmc-209hie,1,4-bis 4-phenylphenyl benzene,1-phenyl-4-4-4-phenylphenyl phenyl benzene,1,1:4,1':4',1-quinquephenyl,4-1,1'-biphenyl-4-yl-4'-phenyl-1,1'-biphenyl PubChem CID: 137813 IUPAC Name: 1,4-bis(4-phenylphenyl)benzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5
3,5-dibromobenzamide, Thermo Scientific™
CAS: 175205-85-3 Molecular Formula: C7H5Br2NO Molecular Weight (g/mol): 278.931 InChI Key: IOFGMNBDIDEBIQ-UHFFFAOYSA-N Synonym: 3,5-dibromo-benzoic acid amide,acmc-20andi,3,5-dibromo-benzamide,maybridge1_007750,3,5-bis bromanyl benzamide,3,5-dibromobenzamide PubChem CID: 2735937 IUPAC Name: 3,5-dibromobenzamide SMILES: C1=C(C=C(C=C1Br)Br)C(=O)N
Hexestrol, 98+%, Thermo Scientific Chemicals
CAS: 84-16-2 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.37 MDL Number: MFCD00068996 InChI Key: PBBGSZCBWVPOOL-UHFFFAOYNA-N Synonym: hexestrol,meso-hexestrol,hexoestrol,hexanoestrol,hexestrofen,mesohexestrol,erythrohexestrol,estra-plex,cycloestrol,estrifar PubChem CID: 192197 SMILES: CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Econazole, 99%, Thermo Scientific Chemicals
CAS: 27220-47-9 Molecular Formula: C18H15Cl3N2O Molecular Weight (g/mol): 381.68 MDL Number: MFCD00800993,MFCD00058160 (.HNO3) InChI Key: LEZWWPYKPKIXLL-UHFFFAOYNA-N Synonym: econazole,ecostatin,econazolum,pevaryl,gyno-pevaryl,econazol,palavale,spectazole,+--econazole,ecostatin cream PubChem CID: 3198 ChEBI: CHEBI:82873 IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
Bifonazole, 98%, Thermo Scientific™
CAS: 60628-96-8 Molecular Formula: C22H18N2 Molecular Weight (g/mol): 310.39 InChI Key: OCAPBUJLXMYKEJ-UHFFFAOYSA-N Synonym: bifonazole,mycospor,trifonazole,bifonazol,bifonazolum,amycor,azolmen,bifonazol inn-spanish,bifonazolum inn-latin,1-4-biphenylyl phenylmethyl-1h-imidazole PubChem CID: 2378 ChEBI: CHEBI:78692 IUPAC Name: 1-[phenyl-(4-phenylphenyl)methyl]imidazole SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4
Niclosamide, 97+%, Thermo Scientific Chemicals
CAS: 50-65-7 Molecular Formula: C13H8Cl2N2O4 Molecular Weight (g/mol): 327.12 MDL Number: MFCD00057597 InChI Key: RJMUSRYZPJIFPJ-UHFFFAOYSA-N Synonym: niclosamide,5-chloro-n-2-chloro-4-nitrophenyl-2-hydroxybenzamide,niclocide,bayluscid,phenasal,tredemine,fenasal,yomesan,dichlosale,helmiantin PubChem CID: 4477 IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide SMILES: OC1=CC=C(Cl)C=C1C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O
2-Acetamidophenol, 97%, Thermo Scientific Chemicals
CAS: 614-80-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.16 MDL Number: MFCD00002181 InChI Key: ADVGKWPZRIDURE-UHFFFAOYSA-N Synonym: 2-acetamidophenol,n-2-hydroxyphenyl acetamide,2'-hydroxyacetanilide,o-hydroxyacetanilide,2-acetaminophenol,2-hydroxyacetanilide,o-acetamidophenol,o-acetylamino phenol,2-acetylamino phenol,o-acetaminophenol PubChem CID: 11972 IUPAC Name: N-(2-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=CC=C1O
2,4,5-Trifluorophenylboronic acid, 97%, Thermo Scientific™
CAS: 247564-72-3 Molecular Formula: C6H4BF3O2 Molecular Weight (g/mol): 175.90 MDL Number: MFCD01863165 InChI Key: KCHHKNCSISEAAE-UHFFFAOYSA-N Synonym: 2,4,5-trifluorophenyl boronic acid,2,4,5-trifluorobenzeneboronic acid,boronic acid, b-2,4,5-trifluorophenyl,boronic acid, 2,4,5-trifluorophenyl,2,4,5-trifluorophenylboronicacid,pubchem1787,acmc-1cd74 PubChem CID: 2783133 IUPAC Name: (2,4,5-trifluorophenyl)boronic acid SMILES: OB(O)C1=CC(F)=C(F)C=C1F
2-Nitrobenzaldehyde, 97%, Thermo Scientific™
CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007132 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]