Benzenoids
3-Hydroxybenzyl alcohol, 97%
CAS: 620-24-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00004643 InChI Key: OKVJCVWFVRATSG-UHFFFAOYSA-N Synonym: 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol PubChem CID: 102 ChEBI: CHEBI:17069 IUPAC Name: 3-(hydroxymethyl)phenol SMILES: C1=CC(=CC(=C1)O)CO
2-Phenyl-2-propanol, 98+%
CAS: 617-94-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004456 InChI Key: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonym: 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol PubChem CID: 12053 IUPAC Name: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1
Di-n-heptyl phthalate, 98+%
CAS: 3648-21-3 Molecular Formula: C22H34O4 Molecular Weight (g/mol): 362.51 MDL Number: MFCD00043680 InChI Key: JQCXWCOOWVGKMT-UHFFFAOYSA-N Synonym: diheptyl phthalate,di-n-heptyl phthalate,heptyl phthalate,di-n-heptylphthalate,phthalic acid, diheptyl ester,phthalic acid diheptyl ester,1,2-benzenedicarboxylic acid, diheptyl ester,n-diheptyl phthalate,unii-ie05vo8p8p,diheptyl ester of phthalic acid PubChem CID: 19284 ChEBI: CHEBI:34677 IUPAC Name: diheptyl benzene-1,2-dicarboxylate SMILES: CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC
4-Fluoro-3-methylaniline, 97%
CAS: 452-69-7 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00025294 InChI Key: NYMDPDNETOLVBS-UHFFFAOYSA-N Synonym: 2-fluoro-5-aminotoluene,4-fluoro-m-toluidine,5-amino-2-fluorotoluene,4-fluoro-3-methylbenzenamine,4-fluoro-3-methylphenylamine,benzenamine, 4-fluoro-3-methyl,4-fluoro-3-methyl aniline,4-fluoro-3-methyl-aniline,4-fluor-3-methylanilin,pubchem1513 PubChem CID: 67981 IUPAC Name: 4-fluoro-3-methylaniline SMILES: CC1=CC(N)=CC=C1F
4-Cyanobenzoic acid, 98%
CAS: 619-65-8 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002528 InChI Key: ADCUEPOHPCPMCE-UHFFFAOYSA-N Synonym: p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid PubChem CID: 12087 IUPAC Name: 4-cyanobenzoic acid SMILES: C1=CC(=CC=C1C#N)C(=O)O
2-Chloro-6-nitrophenol, 98%
CAS: 603-86-1 Molecular Formula: C6H4ClNO3 Molecular Weight (g/mol): 173.55 MDL Number: MFCD00024233 InChI Key: ICCYFVWQNFMENX-UHFFFAOYSA-N Synonym: 2-chloro-6-nitrophenol,phenol, 2-chloro-6-nitro,6-chloro-2-nitrophenol,2-chloro-6-nitro-phenol,pubchem4103,2-nitro-6-chlorophenol,acmc-1aych,2-chloro-6-nitro-pheno,2-chlor-6-nitro-phenol,ksc494c1j PubChem CID: 11784 IUPAC Name: 2-chloro-6-nitrophenol SMILES: OC1=C(Cl)C=CC=C1[N+]([O-])=O
4-tert-Butyltoluene, 95%
CAS: 98-51-1 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00008837 InChI Key: QCWXDVFBZVHKLV-UHFFFAOYSA-N Synonym: 4-tert-butyltoluene,p-tert-butyltoluene,1-tert-butyl-4-methylbenzene,p-t-butyltoluene,benzene, 1-1,1-dimethylethyl-4-methyl,4-t-butyltoluene,p-methyl-tert-butylbenzene,toluene, p-tert-butyl,1-methyl-4-tert-butylbenzene,4-methyl-tert-butylbenzene PubChem CID: 7390 IUPAC Name: 1-tert-butyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)C(C)(C)C
4-Iodo-2-nitrotoluene, 97%
CAS: 41252-97-5 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.034 MDL Number: MFCD00051090 InChI Key: QLMRDNPXYNJQMQ-UHFFFAOYSA-N Synonym: 4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene PubChem CID: 170481 IUPAC Name: 4-iodo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)I)[N+](=O)[O-]
2-Fluorophenyl isothiocyanate, 97%
CAS: 38985-64-7 Molecular Formula: C7H4FNS Molecular Weight (g/mol): 153.17 MDL Number: MFCD00004800 InChI Key: OAGDRIUTLPDSMJ-UHFFFAOYSA-N Synonym: 2-fluorophenyl isothiocyanate,o-fluorophenyl isothiocyanate,benzene, 1-fluoro-2-isothiocyanato,2-fluorophenylisothiocyanate,1-fluoro-2-isothiocyanato-benzene,isothiocyanic acid 2-fluorophenyl ester,benzene,1-fluoro-2-isothiocyanato,o-fluoro phenyl isothiocyanate,2-fluorobenzenisothiocyanate,timtec-bb sbb006546 PubChem CID: 97520 IUPAC Name: 1-fluoro-2-isothiocyanatobenzene SMILES: FC1=CC=CC=C1N=C=S
4-Isopropylanisole, 95%
CAS: 4132-48-3 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00015033 InChI Key: JULZQKLZSNOEEJ-UHFFFAOYSA-N Synonym: 4-isopropylanisole,1-isopropyl-4-methoxybenzene,4-methoxycumene,p-isopropylanisole,anisole, p-isopropyl,2-4-methoxyphenyl propane,benzene, 1-methoxy-4-1-methylethyl,1-methoxy-4-propan-2-yl benzene,p-methoxycumene,p-methoxyisopropylbenzene PubChem CID: 77783 IUPAC Name: 1-methoxy-4-propan-2-ylbenzene SMILES: COC1=CC=C(C=C1)C(C)C
1-Chloro-2-iodobenzene, 99%
CAS: 615-41-8 Molecular Formula: C6H4ClI Molecular Weight (g/mol): 238.45 MDL Number: MFCD00001033 InChI Key: MPEOPBCQHNWNFB-UHFFFAOYSA-N Synonym: 2-chloroiodobenzene,o-chloroiodobenzene,o-iodochlorobenzene,2-iodochlorobenzene,benzene, 1-chloro-2-iodo,2-chlorophenyl iodide,2-chloro-1-iodobenzene,1-chloro-2-iodo-benzene,chlorjodbenzol,iodochlorobenzene PubChem CID: 11993 IUPAC Name: 1-chloro-2-iodobenzene SMILES: ClC1=CC=CC=C1I
4-(Trifluoromethyl)aniline hydrochloride, 97%
CAS: 90774-69-9 Molecular Formula: C7H7ClF3N Molecular Weight (g/mol): 197.585 MDL Number: MFCD00007897 InChI Key: CZGDYZDUMJDQSD-UHFFFAOYSA-N Synonym: 4-aminobenzotrifluoride hydrochloride,4-trifluoromethyl aniline hydrochloride,4-trifluoromethyl anilinium chloride,p-trifluoromethylaniline hydrochloride,4-trifluoromethyl phenylamine, chloride,pubchem2816,4-aminobenzotrifluoride, hydrochloride,4-trifluoromethylaniline hydrochloride,4-trifluoromethyl aniline;hydrochloride,a,a,a-trifluoro-p-toluidine hydrochloride PubChem CID: 2723961 IUPAC Name: 4-(trifluoromethyl)aniline;hydrochloride SMILES: C1=CC(=CC=C1C(F)(F)F)N.Cl
1-Bromo-4-nitrobenzene, 98%
CAS: 586-78-7 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.01 MDL Number: MFCD00007280 InChI Key: ZDFBKZUDCQQKAC-UHFFFAOYSA-N Synonym: 4-bromonitrobenzene,4-nitrobromobenzene,p-bromonitrobenzene,benzene, 1-bromo-4-nitro,p-nitrobromobenzene,4-nitrophenyl bromide,4-bromo-1-nitrobenzene,p-nitrophenyl bromide,1-bromo-4-nitro-benzene,ccris 3115 PubChem CID: 11466 IUPAC Name: 1-bromo-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Br)C=C1
4-Bromobenzhydrazide, 98+%
CAS: 5933-32-4 Molecular Formula: C7H7BrN2O Molecular Weight (g/mol): 215.05 MDL Number: MFCD00007602 InChI Key: UYIMBYKIIMYFPS-UHFFFAOYSA-N Synonym: 4-bromobenzhydrazide,p-bromobenzhydrazide,4-bromobenzoic hydrazide,p-bromobenzohydrazide,p-bromobenzoic acid hydrazide,4-bromobenzoylhydrazine,4-bromobenzoic acid hydrazide,benzoic acid, 4-bromo-, hydrazide,4-bromo-benzoic acid hydrazide,p-bromobenzoylhydrazine PubChem CID: 22219 IUPAC Name: 4-bromobenzohydrazide SMILES: C1=CC(=CC=C1C(=O)NN)Br
4-Dimethylaminobenzophenone, 98%
CAS: 530-44-9 Molecular Formula: C15H15NO Molecular Weight (g/mol): 225.291 MDL Number: MFCD00008311 InChI Key: BEUGBYXJXMVRFO-UHFFFAOYSA-N Synonym: 4-dimethylamino benzophenone,4-dimethylaminobenzophenone,p-dimethylaminobenzophenone,p-benzoyl-n,n-dimethylaniline,4-n,n-dimethylaminobenzophenone,p-dimethylamino benzophenone,4-dimethylamino phenyl phenyl methanone,4-benzoyl-n,n-dimethylaniline,methanone, 4-dimethylamino phenyl phenyl,benzophenone, 4-dimethylamino PubChem CID: 10737 IUPAC Name: [4-(dimethylamino)phenyl]-phenylmethanone SMILES: CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2