Benzene and substituted derivatives
4-(1H-pyrazol-1-ylmethyl)benzaldehyde, Thermo Scientific™
CAS: 887922-90-9 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD08059835 InChI Key: FAURNROAEFQBHX-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-ylmethyl benzaldehyde,4-pyrazol-1-ylmethyl-benzaldehyde,4-1h-pyrazol-1-yl methyl benzaldehyde,4-pyrazol-1-ylmethyl benzaldehyde,4-pyrazolylmethyl benzaldehyde,4-1h-pyrazol-1-ylmethyl-benzaldehyde,benzaldehyde,4-1h-pyrazol-1-ylmethyl PubChem CID: 18525876 IUPAC Name: 4-(pyrazol-1-ylmethyl)benzaldehyde SMILES: O=CC1=CC=C(CN2C=CC=N2)C=C1
2-Bromo-5-methoxybenzonitrile, 98%, Thermo Scientific Chemicals
CAS: 138642-47-4 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.046 MDL Number: MFCD01861260 InChI Key: ZQONVYONOASKIY-UHFFFAOYSA-N Synonym: benzonitrile,2-bromo-5-methoxy,2-bromo-5-methoxybenzenecarbonitrile,4-bromo-3-cyanoanisole,acmc-20ag98,2-bromo-5-methoxy benzonitrile,2-bromo-5-methoxybenzonitrile,2-bromanyl-5-methoxy-benzenecarbonitrile PubChem CID: 21784096 IUPAC Name: 2-bromo-5-methoxybenzonitrile SMILES: COC1=CC(=C(C=C1)Br)C#N
Sildenafil Citrate, USP, 98-102%, Spectrum™ Chemical
CAS: 171599-83-0 Molecular Formula: C28H38N6O11S Molecular Weight (g/mol): 666.70 InChI Key: DEIYFTQMQPDXOT-UHFFFAOYSA-N IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CCCC1=NN(C)C2=C1NC(=NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1
1-(4-Fluorobenzyl)-1,4-diazepane, 97%, Thermo Scientific™
CAS: 76141-89-4 Molecular Formula: C12H17FN2 Molecular Weight (g/mol): 208.28 MDL Number: MFCD00816588 InChI Key: KZCHYFUMQQWGJK-UHFFFAOYSA-N Synonym: 1-4-fluorobenzyl-1,4-diazepane,1-4-fluorobenzyl homopiperazine,1-4-fluorophenyl methyl-1,4-diazepane,1-4-fluoro-benzyl-1,4 diazepane,1-4-fluorophenyl methyl-1,4-diazaperhydroepine,acmc-1bluy,1-4-fluorobenzyl-1,4 diazepane PubChem CID: 2774433 IUPAC Name: 1-[(4-fluorophenyl)methyl]-1,4-diazepane SMILES: C1CNCCN(C1)CC2=CC=C(C=C2)F
2-Bromo-4-fluorotoluene, 98+%
CAS: 1422-53-3 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00040828 InChI Key: SFGFOJPGCOYQJK-UHFFFAOYSA-N Synonym: 2-bromo-4-fluorotoluene,4-fluoro-2-bromotoluene,2-bromo-4-fluoro toluene,benzene, 2-bromo-4-fluoro-1-methyl,2-bromo-4-fluoro-1-methyl-benzene,2-brom-4-fluor-1-methylbenzol,pubchem1602,2-bromo4-fluorotoluene,acmc-209cny,2-bromo-4-fluoro-toluene PubChem CID: 74016 IUPAC Name: 2-bromo-4-fluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)Br
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
5-Fluoro-2-methoxybenzaldehyde, 98%
CAS: 19415-51-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00143458 InChI Key: CRLDWFVRQNUUSZ-UHFFFAOYSA-N PubChem CID: 2734943 IUPAC Name: 5-fluoro-2-methoxybenzaldehyde SMILES: COC1=C(C=C(C=C1)F)C=O
Methyl 4-chloro-3-nitrobenzoate, 98%
CAS: 14719-83-6 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00016989 InChI Key: XRTKWPWDSUNLHS-UHFFFAOYSA-N Synonym: methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate PubChem CID: 735797 IUPAC Name: methyl 4-chloro-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
N-(2-Hydroxyphenyl)thiourea, 97%
CAS: 1520-26-9 Molecular Formula: C7H8N2OS Molecular Weight (g/mol): 168.214 MDL Number: MFCD00041159 InChI Key: VYBCFZXLXJUFPM-UHFFFAOYSA-N Synonym: 1-2-hydroxyphenyl thiourea,2-hydroxyphenyl thiourea,2-hydroxy-phenyl-thiourea,2-aminothioxomethyl amino phenol,o-hydroxyphenylthiourea,acmc-20ant0,thiourea, hydroxyphenyl,1-o-hydroxyphenyl thiourea,n-2-hydroxyphenyl thiourea,thiourea, 2-hydroxyphenyl PubChem CID: 3003569 IUPAC Name: (2-hydroxyphenyl)thiourea SMILES: C1=CC=C(C(=C1)NC(=S)N)O
2,4,6-Trifluoroaniline, 98%
CAS: 363-81-5 Molecular Formula: C6H4F3N MDL Number: MFCD00007650 InChI Key: BJSVKBGQDHUBHZ-UHFFFAOYSA-N Synonym: 2-amino-1,3,5-trifluorobenzene,2,4,6-trifluorobenzenamine,benzenamine, 2,4,6-trifluoro,2,4,6-trifluorophenylamine,pubchem2468,acmc-1cmhu,2,4,6 trifluoroaniline,2,4,6-tri-fluoroaniline,2,4,6-trifluoro aniline,2,4,6-trifluoro-aniline PubChem CID: 67765 IUPAC Name: 2,4,6-trifluoroaniline
Benzyl (S)-(+)-glycidyl ether, 98+%
CAS: 16495-13-9 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00054428 InChI Key: QNYBOILAKBSWFG-SNVBAGLBSA-N Synonym: s-+-benzyl glycidyl ether,s-benzyloxymethyl-oxirane,benzyl s-+-glycidyl ether,s-2-benzyloxy methyl oxirane,2s-2-benzyloxy methyl oxirane,s-o-benzylglycidol,s-benzyl glycidyl ether,+-benzyl glycidyl ether,s-benzyloxymethyl oxirane PubChem CID: 146296 SMILES: C(OCC1=CC=CC=C1)[C@@H]1CO1
2,4-Dichloro-5-isopropoxyaniline, 98%
CAS: 41200-96-8 Molecular Formula: C9H11Cl2NO Molecular Weight (g/mol): 220.093 MDL Number: MFCD00974411 InChI Key: RWRWIICNMOKBIQ-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-isopropoxyaniline,2,4-dichloro-5-2-propyloxy aniline,2,4-dichloro-5-propan-2-yloxy aniline,benzenamine, 2,4-dichloro-5-1-methylethoxy,acmc-20aodr,2,4-dichloro-5-isopropyloxyaniline,2,4-dichloro-5-isopropoxyphenylamine,2,4-dichloro-5-isopropoxy-phenylamine,2,4-dichloro-5-1-methylethoxy aniline,2,4-dichloro-5-methylethoxy phenylamine PubChem CID: 170476 IUPAC Name: 2,4-dichloro-5-propan-2-yloxyaniline SMILES: CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl
5-Amino-2-nitrobenzoic acid, 95%
CAS: 13280-60-9 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00035748 InChI Key: KZZWQCKYLNIOBT-UHFFFAOYSA-N Synonym: 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid PubChem CID: 83298 SMILES: C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]
(R)-(+)-1-(3-Methoxyphenyl)ethylamine, ChiPros 99+%, ee 98%
CAS: 88196-70-7 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00671655 InChI Key: CJWGCBRQAHCVHW-SSDOTTSWSA-N Synonym: r-1-3-methoxyphenyl ethanamine,r-1-3-methoxyphenyl ethylamine,1-r-3-methoxyphenol ethylamine,1r-1-3-methoxyphenyl ethanamine,1r-1-3-methoxyphenyl ethan-1-amine,r-+-1-3-methoxyphenyl ethylamine,phenol,3-1r-1-aminoethyl,1r-1-3-methoxyphenyl ethylamine,r-3-methoxy-alpha-methylbenzylamine,r-1 3-methoxyphenyl ethylamine PubChem CID: 7020759 IUPAC Name: (1R)-1-(3-methoxyphenyl)ethanamine SMILES: CC(C1=CC(=CC=C1)OC)N
Methyl benzilate, 98%, Thermo Scientific Chemicals
CAS: 76-89-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00004446 InChI Key: LJFIHTFNTGQZJL-UHFFFAOYSA-N Synonym: methyl benzilate,methylbenzilate,methyl diphenylglycolate,benzilic acid methyl ester,benzilic acid, methyl ester,benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, methyl ester,diphenylglycolic acid methyl ester,hydroxy-diphenyl-acetic acid methyl ester,methyl 2-hydroxy-2,2-di phenyl acetate,methyl benzillate PubChem CID: 66159 IUPAC Name: methyl 2-hydroxy-2,2-diphenylacetate SMILES: COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O