Benzenoids
3,5-Dimethoxybenzonitrile, 98%
CAS: 19179-31-8 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00001804 InChI Key: NVTHWSJNXVDIKR-UHFFFAOYSA-N Synonym: benzonitrile, 3,5-dimethoxy,3,5-dimethoxy benzonitrile,3,5-dimethoxybenzenecarbonitrile,pubchem3122,benzonitrile,5-dimethoxy,acmc-209z2h,3,5-dimethoxybenzo nitrile,3-10-00-01449 beilstein handbook reference,ksc497i3p,1-cyano-3,5-dimethoxybenzene PubChem CID: 29482 IUPAC Name: 3,5-dimethoxybenzonitrile SMILES: COC1=CC(=CC(=C1)C#N)OC
4-Chlororesorcinol, 98%
CAS: 95-88-5 Molecular Formula: C6H5ClO2 Molecular Weight (g/mol): 144.55 MDL Number: MFCD00002273 InChI Key: JQVAPEJNIZULEK-UHFFFAOYSA-N Synonym: 4-chlororesorcinol,1,3-benzenediol, 4-chloro,p-chlororesorcinol,4-chlororesorcin,resorcinol, 4-chloro,6-chlororesorcinol,4-chloro-1,3-dihydroxybenzene,4-chloro-1,3-benzenediol,2,4-dihydroxychlorobenzene,1,3-dihydroxy-4-chlorobenzene PubChem CID: 1731 IUPAC Name: 4-chlorobenzene-1,3-diol SMILES: OC1=CC=C(Cl)C(O)=C1
N-Methyl(diphenylmethyl)amine, 98%
CAS: 14683-47-7 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.28 MDL Number: MFCD00467853 InChI Key: SHDMMLFAFLZUEV-UHFFFAOYSA-N Synonym: n-diphenylmethyl methylamine,methylbenzhydrylamine,n-benzhydryl-n-methylamine,n-methylbenzhydrylamine,diphenylmethyl methyl amine,diphenyl-methyl methyl amine,diphenylmethyl methylamine,n-methyldiphenylmethanamine,acmc-20akaj,n-methyl benzhydrylamine PubChem CID: 411467 IUPAC Name: N-methyl-1,1-diphenylmethanamine SMILES: CNC(C1=CC=CC=C1)C1=CC=CC=C1
trans-3-Chloro-beta-nitrostyrene, 97%
CAS: 37888-03-2 Molecular Formula: C8H6ClNO2 Molecular Weight (g/mol): 183.591 MDL Number: MFCD00175518 InChI Key: GXQRAWTWDNHGBS-SNAWJCMRSA-N Synonym: 1-chloro-3-2-nitrovinyl benzene,e-1-chloro-3-2-nitrovinyl benzene,1-3-chlorophenyl-2-nitroethene,trans-3-chloro-beta-nitrostyrene,beta-nitro-3-chlorostyrene,trans-1-chloro-3-2-nitro-vinyl-benzene,1-chloro-3-e-2-nitrovinyl benzene,trans-1-3-chlorophenyl-2-nitroethene,cyto9f2,trans-3-chloro-,a-nitrostyrene PubChem CID: 5702314 IUPAC Name: 1-chloro-3-[(E)-2-nitroethenyl]benzene SMILES: C1=CC(=CC(=C1)Cl)C=C[N+](=O)[O-]
Diphenylacetonitrile, 99%
CAS: 86-29-3 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00001862 InChI Key: NEBPTMCRLHKPOB-UHFFFAOYSA-N Synonym: diphenylacetonitrile,dipan,diphenatrile,benzhydrylcyanide,diphenylmethylcyanide,benzyhydrylcyanide,acetonitrile, diphenyl,benzeneacetonitrile, alpha-phenyl,usaf kf-13,difenylacetonitril PubChem CID: 6837 IUPAC Name: 2,2-diphenylacetonitrile SMILES: C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2
2,4,6-Tri-tert-butylaniline, 95%
CAS: 961-38-6 Molecular Formula: C18H31N Molecular Weight (g/mol): 261.453 MDL Number: MFCD00011645 InChI Key: REJGDSCBQPJPQT-UHFFFAOYSA-N Synonym: 2,4,6-tri-tert-butylaniline,2,4,6-tri-t-butylaniline,2,4,6-tri tert-butyl aniline,aniline, tri-tert-butyl,2,4,6-tri-tert-butylphenylamine,2,4,6-tritert-butylphenylamine,benzenamine, 2,4,6-tris 1,1-dimethylethyl,aniline, 2,4,6-tri-tert-butyl,2,4,6-tris tert-butyl phenylamine,pubchem16758 PubChem CID: 70402 IUPAC Name: 2,4,6-tritert-butylaniline SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N)C(C)(C)C
4-(Bromomethyl)benzeneboronic acid, tech. 85%
CAS: 68162-47-0 Molecular Formula: C7H8BBrO2 Molecular Weight (g/mol): 214.85 MDL Number: MFCD01318113 InChI Key: PDNOURKEZJZJNZ-UHFFFAOYSA-N Synonym: 4-bromomethyl phenylboronic acid,4-bromomethylphenylboronic acid,4-bromomethyl phenyl boronic acid,4-bromomethyl benzeneboronic acid,4-boronobenzyl bromide,p-bromomethyl phenylboronic acid,4-bromomethylphenyl boronic acid,4-bromomethylbenzeneboronic acid,boronic acid, 4-bromomethyl phenyl PubChem CID: 2735593 IUPAC Name: [4-(bromomethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(CBr)C=C1
n-Butyl 4-hydroxybenzoate, 99+%
CAS: 94-26-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00016478 InChI Key: QFOHBWFCKVYLES-UHFFFAOYSA-N Synonym: butylparaben,butyl paraben,butyl p-hydroxybenzoate,nipabutyl,butoben,butyl chemosept,butyl parasept,butyl tegosept,butyl butex,tegosept butyl PubChem CID: 7184 IUPAC Name: butyl 4-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)O
1,6-Dihydroxynaphthalene, 97+%
CAS: 575-44-0 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00003981 InChI Key: FZZQNEVOYIYFPF-UHFFFAOYSA-N Synonym: 1,6-dihydroxynaphthalene,1,6-naphthalenediol,6-hydroxy-1-naphthol,1,6-dihydroxy naphthalene,2,5-naphthalenediol,2,5-dihydroxynaphthalene,naphthalene, 1,6-dihydroxy,ccris 7894,1,6-dihydroxynaphtalene,1.6-dihydroxynaphthalene PubChem CID: 68463 ChEBI: CHEBI:42040 IUPAC Name: naphthalene-1,6-diol SMILES: C1=CC2=C(C=CC(=C2)O)C(=C1)O
4-Fluorobenzaldehyde, 98+%
CAS: 459-57-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.11 MDL Number: MFCD00003378 InChI Key: UOQXIWFBQSVDPP-UHFFFAOYSA-N Synonym: p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde PubChem CID: 68023 IUPAC Name: 4-fluorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)F
4-Chloro-2-fluorobenzylamine hydrochloride, 97%
CAS: 202982-63-6 Molecular Formula: C7H8Cl2FN Molecular Weight (g/mol): 196.046 MDL Number: MFCD00143286 InChI Key: DFRJZBWKVAXYRV-UHFFFAOYSA-N Synonym: 4-chloro-2-fluorobenzylamine hydrochloride,4-chloro-2-fluorophenyl methanamine hydrochloride,4-chloro-2-fluorobenzylamine hcl,4-chloro-2-fluorophenyl methylamine, chloride,1-4-chloro-2-fluorophenyl methanamine hydrochloride,pubchem3428,acmc-1cp68,4-chloro-2-fluoro-benzylamine hydrochloride PubChem CID: 2724909 IUPAC Name: (4-chloro-2-fluorophenyl)methanamine;hydrochloride SMILES: C1=CC(=C(C=C1Cl)F)CN.Cl
2-Acetyl-1-naphthol, 99%
CAS: 711-79-5 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00003963 InChI Key: JBGJVMVWYWUVOW-UHFFFAOYSA-N Synonym: 1'-hydroxy-2'-acetonaphthone,2-acetyl-1-naphthol,1-hydroxy-2-acetylnaphthalene,2-acetyl-1-hydroxynaphthalene,1-hydroxy-2-acetonaphthone,ethanone, 1-1-hydroxy-2-naphthalenyl,1-1-hydroxynaphthalen-2-yl ethanone,1-1-hydroxy-2-naphthalenyl ethanone,2'-acetonaphthone, 1'-hydroxy,1-hydroxy-2-naphthyl methyl ketone PubChem CID: 69733 IUPAC Name: 1-(1-hydroxynaphthalen-2-yl)ethanone SMILES: CC(=O)C1=CC=C2C=CC=CC2=C1O
1-Phenyl-2-propyn-1-one, 97%
CAS: 3623-15-2 Molecular Formula: C9H6O Molecular Weight (g/mol): 130.15 MDL Number: MFCD06661646 InChI Key: JITPLZPWKYUTDM-UHFFFAOYSA-N Synonym: 1-phenyl-2-propyn-1-one,propiolophenone,benzoylacetylene,propynophenone,propioloylbenzene,ethyne, benzoyl,ethynyl phenyl ketone,phenyl ethynyl ketone,3-oxo-3-phenylpropyne,2-propyn-1-one, 1-phenyl PubChem CID: 77179 IUPAC Name: 1-phenylprop-2-yn-1-one SMILES: O=C(C#C)C1=CC=CC=C1
3-Amino-o-cresol, 95%, Thermo Scientific™
CAS: 53222-92-7 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007787 InChI Key: FLROJJGKUKLCAE-UHFFFAOYSA-N Synonym: 3-amino-o-cresol,phenol, 3-amino-2-methyl,2-amino-o-cresol,2-methyl-3-aminophenol,3-hydroxy-2-methylaniline,aminokresol,o-cresol, 3-amino,pubchem15039,2-methyl-3-amino-phenol,3-amino-2-methyl phenol PubChem CID: 104448 IUPAC Name: 3-amino-2-methylphenol SMILES: CC1=C(C=CC=C1O)N
4,4'-Dihydroxybenzophenone, 97%
CAS: 611-99-4 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002358 InChI Key: RXNYJUSEXLAVNQ-UHFFFAOYSA-N Synonym: 4,4'-dihydroxybenzophenone,bis 4-hydroxyphenyl methanone,hbp ketone,methanone, bis 4-hydroxyphenyl,bis 4-hydroxyphenyl ketone,4,4'-dihydoxy-benzophenone,bis p-hydroxy benzophenone,p,p'-dihydroxybenzophenone,4,4'-dihydroxydiphenyl ketone,benzophenone, 4,4'-dihydroxy PubChem CID: 69150 ChEBI: CHEBI:34365 IUPAC Name: bis(4-hydroxyphenyl)methanone SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)O