Benzenoids
4-(Cyanomethyl)benzeneboronic acid, 95%
CAS: 91983-26-5 Molecular Formula: C8H8BNO2 Molecular Weight (g/mol): 160.967 MDL Number: MFCD01632200 InChI Key: YKVMTTIYBSVPEQ-UHFFFAOYSA-N Synonym: 4-cyanomethyl benzeneboronic acid,4-cyanomethyl phenyl boronic acid,4-cyanomethylphenylboronic acid,4-cyanomethylphenyl boronic acid,4-cyanomethyl phenylboronic acid,4-boronophenylacetonitrile,boronic acid, 4-cyanomethyl phenyl,pubchem7789,acmc-209ree PubChem CID: 2773342 IUPAC Name: [4-(cyanomethyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)CC#N)(O)O
2,6-Dimethylphenol, 99%
CAS: 576-26-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002240 InChI Key: NXXYKOUNUYWIHA-UHFFFAOYSA-N Synonym: 2,6-xylenol,phenol, 2,6-dimethyl,2,6-dimethyl phenol,2-hydroxy-m-xylene,1-hydroxy-2,6-dimethylbenzene,vic-m-xylenol,2,6-dmp,2,6-dimethyl-phenol,xylenol 235,2-hydroxy-1,3-dimethylbenzene PubChem CID: 11335 IUPAC Name: 2,6-dimethylphenol SMILES: CC1=CC=CC(C)=C1O
4-Hydroxyphthalic acid, 98%
CAS: 610-35-5 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.131 MDL Number: MFCD00013984 InChI Key: MWRVRCAFWBBXTL-UHFFFAOYSA-N Synonym: 1,2-benzenedicarboxylic acid, 4-hydroxy,4-hydroxybenzene-1,2-dicarboxylic acid,4-hydroxy-1,2-benzenedicarboxylic acid,3,4-dicarboxyphenol,4-hydroxy-phthalic acid,acmc-1avol,ksc357m7h,4-hydroxyphthalic acid,4-hydroxy-1,2-benzenedicarboxylicacid,1,2-benzenedicarboxylicacid, 4-hydroxy PubChem CID: 11881 ChEBI: CHEBI:27600 IUPAC Name: 4-hydroxyphthalic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)C(=O)O
(1S,2S)-N-(p-Toluenesulfonyl)-1,2-diphenylethanediamine
CAS: 167316-27-0 Molecular Formula: C21H23N2O2S Molecular Weight (g/mol): 367.49 MDL Number: MFCD03095684 InChI Key: UOPFIWYXBIHPIP-SFTDATJTSA-O Synonym: 1s,2s-+-n-p-tosyl-1,2-diphenylethylenediamine,s,s-tsdpen,1s,2s-+-n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-n-4-toluenesulfonyl-1,2-diphenylethylene-1,2-diamine,1s,2s---n-p-tosyl-1,2-diphenylethylenediamine,n-1s,2s-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,1s, 2s-+-n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,s,s-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-tsdpen,s,s-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide PubChem CID: 6612782 IUPAC Name: N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1
3-chlorobenzaldehyde, 99%
CAS: 587-04-2 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.57 MDL Number: MFCD00003350 InChI Key: SRWILAKSARHZPR-UHFFFAOYSA-N Synonym: m-chlorobenzaldehyde,benzaldehyde, 3-chloro,mcad,meta-chlorobenzaldehyde,benzaldehyde, m-chloro,3-chloro benzaldehyde,3-chloro-benzaldehyde,benzaldehyde, 3-chloro-9ci,ccris 8613,3-chiorobenzaldehyde PubChem CID: 11477 IUPAC Name: 3-chlorobenzaldehyde SMILES: C1=CC(=CC(=C1)Cl)C=O
3-Fluorobenzotrifluoride, 99%
CAS: 401-80-9 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000382 InChI Key: GBOWGKOVMBDPJF-UHFFFAOYSA-N Synonym: 3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene PubChem CID: 67867 IUPAC Name: 1-fluoro-3-(trifluoromethyl)benzene SMILES: FC1=CC=CC(=C1)C(F)(F)F
2,4-Dinitroaniline, 99% (dry wt.), cont. up to 15% water
CAS: 97-02-9 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007151 InChI Key: LXQOQPGNCGEELI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline PubChem CID: 7321 ChEBI: CHEBI:34242 IUPAC Name: 2,4-dinitroaniline SMILES: NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
Benzyl 3-bromopropyl ether, 95%
CAS: 54314-84-0 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.12 MDL Number: MFCD00134570 InChI Key: PSUXTZLDBVEZTD-UHFFFAOYSA-N Synonym: benzyl 3-bromopropyl ether,3-bromopropoxy methyl benzene,3-bromopropylbenzyl ether,3-benzyloxy-1-bromopropane,3-benzyloxy propyl bromide,benzene, 3-bromopropoxy methyl,1-3-bromopropoxy methyl benzene,benzyl3-bromopropylether PubChem CID: 2776064 IUPAC Name: [(3-bromopropoxy)methyl]benzene SMILES: BrCCCOCC1=CC=CC=C1
2,3,4,5,6-Pentafluorobenzyl bromide, 97%
CAS: 1765-40-8 Molecular Formula: C7H2BrF5 Molecular Weight (g/mol): 260.989 MDL Number: MFCD00000299 InChI Key: XDEPVFFKOVDUNO-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzyl bromide,pentafluorobenzyl bromide,1-bromomethyl-2,3,4,5,6-pentafluorobenzene,1-bromomethylpentafluorobenzene,alpha-bromo-2,3,4,5,6-pentafluorotoluene,bromomethyl pentafluorobenzene,benzene, bromomethyl pentafluoro,2,3,4,5,6-pentafluorobenzylbromide,pfbbr,pentafluorobenzylbromide PubChem CID: 74484 IUPAC Name: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)Br
3-(1H-Pyrazol-1-ylmethyl)benzylamine, 97%, Thermo Scientific™
CAS: 562803-76-3 Molecular Formula: C11H13N3 Molecular Weight (g/mol): 187.246 MDL Number: MFCD08572164 InChI Key: XKFHMAZBNKKNMT-UHFFFAOYSA-N Synonym: 3-1h-pyrazol-1-ylmethyl benzylamine,3-1h-pyrazol-1-ylmethyl phenyl methanamine,1-3-aminomethyl benzyl-1h-pyrazole,3-pyrazol-1-ylmethyl phenyl methanamine,1-3-pyrazol-1-ylmethyl phenyl methanamine,3-pyrazolylmethyl phenyl methylamine,3-1h-pyrazol-1-yl methyl benzylamine,3-1h-pyrazole-1-ylmethyl benzenemethanamine,benzenemethanamine,3-1h-pyrazol-1-ylmethyl,3-1h-pyrazol-1-yl methyl phenyl methanamine PubChem CID: 16640564 IUPAC Name: [3-(pyrazol-1-ylmethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)CN)CN2C=CC=N2
Tri(m-tolyl)phosphine, 98+%
CAS: 6224-63-1 Molecular Formula: C21H21P Molecular Weight (g/mol): 304.373 MDL Number: MFCD00008532 InChI Key: LFNXCUNDYSYVJY-UHFFFAOYSA-N Synonym: tri-m-tolylphosphine,tris 3-methylphenyl phosphine,tri m-tolyl phosphine,phosphine, tris 3-methylphenyl,tris m-tolyl phosphine,phosphine, tri-m-tolyl,tris 3-methylphenyl phosphane,tris 3-tolyl phosphine,tri-m-tolyl-phosphane,tri-m-tolylphosphane PubChem CID: 80362 IUPAC Name: tris(3-methylphenyl)phosphane SMILES: CC1=CC(=CC=C1)P(C2=CC=CC(=C2)C)C3=CC=CC(=C3)C
1-Indanol, 98%
CAS: 10-6-6351 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00003797 InChI Key: YIAPLDFPUUJILH-UHFFFAOYNA-N Synonym: 1-indanol,indanol,indan-1-ol,1-hydroxyhydrindene,1h-inden-1-ol, 2,3-dihydro,1h-indenol, 2,3-dihydro,1-hydroxyindan,1-hydroxyindane,1-indanole,--indanol PubChem CID: 22819 ChEBI: CHEBI:16697 IUPAC Name: 2,3-dihydro-1H-inden-1-ol SMILES: C1CC2=CC=CC=C2C1O
2-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis
CAS: 745783-91-9 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.13 MDL Number: MFCD08533288 InChI Key: HBOSPPHIPGYHDI-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylglyoxal hydrate,2-oxo-2-2-trifluoromethyl phenyl acetaldehyde hydrate,2-oxo-2-2-trifluoromethyl phenyl ethanal, oxamethane,benzeneacetaldehyde, a-oxo-2-trifluoromethyl-,hydrate 1:1 PubChem CID: 2783281 IUPAC Name: 2-oxo-2-[2-(trifluoromethyl)phenyl]acetaldehyde;hydrate SMILES: FC(F)(F)C1=CC=CC=C1C(=O)C=O