Benzenoids
2,3-Difluorotoluene, 97%, Thermo Scientific™
CAS: 3828-49-7 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.12 MDL Number: MFCD01631506 InChI Key: ZNEHIDGAPGVZSA-UHFFFAOYSA-N Synonym: 2,3-difluorotoluene,1,2-difluoro-3-methyl-benzene,benzene, 1,2-difluoro-3-methyl,2,3-difluoro methyl benzene,pubchem1610,2,3-difluoro toluene,acmc-209iz4,2.3-difluoro methyl benzene,ksc493c6t PubChem CID: 2774228 IUPAC Name: 1,2-difluoro-3-methylbenzene SMILES: CC1=CC=CC(F)=C1F
4-Amino-2-chlorophenol, 99%
CAS: 3964-52-1 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD00128891 InChI Key: ZYZQSCWSPFLAFM-UHFFFAOYSA-N Synonym: 3-chloro-4-hydroxyaniline,2-chloro-4-aminophenol,phenol, 4-amino-2-chloro,4-amino-2-chloro-phenol,unii-2z6zt3b98u,o-chloro-p-aminophenol,pubchem18907,salzsaurem p-aminophenol,acmc-1aiqv,3-chloro4-hydroxyaniline PubChem CID: 77578 IUPAC Name: 4-amino-2-chlorophenol SMILES: NC1=CC=C(O)C(Cl)=C1
3-Fluorobenzonitrile, 98%
CAS: 403-54-3 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001797 InChI Key: JZTPKAROPNTQQV-UHFFFAOYSA-N Synonym: benzonitrile, 3-fluoro,m-fluorobenzonitrile,m-cyanofluorobenzene,benzonitrile, m-fluoro,3-fluoro-benzonitrile,3-fluorobenzenecarbonitrile,3-cyanofluorobenzene,1-cyano-3-fluorobenzene,ncr cf,m-fluorobenzonitile PubChem CID: 67880 IUPAC Name: 3-fluorobenzonitrile SMILES: FC1=CC=CC(=C1)C#N
Isopropyl salicylate, 99%
CAS: 607-85-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00035703 InChI Key: YEULQIJMIOWCHB-UHFFFAOYSA-N Synonym: isopropyl salicylate,isopropyl 2-hydroxybenzoate,salicylic acid, isopropyl ester,iso-propyl salicylate,salicylic acid isopropyl ester,isopropyl o-hydroxybenzoate,benzoic acid, 2-hydroxy-, 1-methylethyl ester,1-methylethyl 2-hydroxybenzoate,methylethyl 2-hydroxybenzoate,opropyl salicylate PubChem CID: 11838 ChEBI: CHEBI:38703 IUPAC Name: propan-2-yl 2-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1O
(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%
CAS: 17257-71-5 Molecular Formula: C10H8F3O3 Molecular Weight (g/mol): 233.17 MDL Number: MFCD00064200 InChI Key: JJYKJUXBWFATTE-VIFPVBQESA-M Synonym: s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid PubChem CID: 6992788 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F
Fullerene powder, 99.9+% C{60}
CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00282904 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Methyl 4-iodo-3-methylbenzoate, 98%
CAS: 5471-81-8 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 MDL Number: MFCD02683863 InChI Key: HCSGWQGKCVQIRM-UHFFFAOYSA-N Synonym: 4-iodo-3-methylbenzoic acid methyl ester,methyl 4-iodo-3-methyl-benzoate,4-iodo-m-toluic acid methyl ester,benzoic acid, 4-iodo-3-methyl-, methyl ester,methyl4-iodo-3-methylbenzoate,acmc-1anqa,methyl 4-iodo-m-toluate,methyl 3methyl-4-iodobenzoate,methyl 3-methyl-4-iodobenzoate,4-iodo-m-toluic acid, methyl ester PubChem CID: 231757 IUPAC Name: methyl 4-iodo-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)I
3-Fluoro-4-methoxybenzyl bromide, 98%
CAS: 331-61-3 Molecular Formula: C8H8BrFO Molecular Weight (g/mol): 219.05 MDL Number: MFCD00671768 InChI Key: KLWYYWVSFYRPLM-UHFFFAOYSA-N Synonym: 3-fluoro-4-methoxybenzyl bromide,4-bromomethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylbromide,4-bromomethyl-2-fluoro-1-methoxy-benzene,benzene, 4-bromomethyl-2-fluoro-1-methoxy,pubchem4923,acmc-1ckmo,4-bromomethyl-2-fluoroanisole PubChem CID: 2774553 IUPAC Name: 4-(bromomethyl)-2-fluoro-1-methoxybenzene SMILES: COC1=CC=C(CBr)C=C1F
4-Amino-3-fluorophenol, 96%
CAS: 399-95-1 Molecular Formula: C6H6FNO Molecular Weight (g/mol): 127.118 MDL Number: MFCD00077452 InChI Key: MNPLTKHJEAFOCA-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminophenol,2-fluoro-4-hydroxyaniline,phenol, 4-amino-3-fluoro,4-amino-3-fluoro-phenol,pubchem2832,3-fluoro-4-amino-phenol,4-amino-3-fluorophenol,acmc-209j9q,4-amine-3-fluorophenol,buttpark 33\04-79 PubChem CID: 2735919 IUPAC Name: 4-amino-3-fluorophenol SMILES: C1=CC(=C(C=C1O)F)N
4-Bromomethyl-3-nitrobenzoic acid, 97%
CAS: 55715-03-2 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00216575 InChI Key: QMAHVAFURJBOFV-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid PubChem CID: 132386 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone, 97%
CAS: 122-48-5 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00048232 InChI Key: OJYLAHXKWMRDGS-UHFFFAOYSA-N Synonym: zingerone,vanillylacetone,zingiberone,4-4-hydroxy-3-methoxyphenyl butan-2-one,zingherone,4-4-hydroxy-3-methoxyphenyl-2-butanone,gingerone,vanillyl acetone,0-paradol,2-butanone, 4-4-hydroxy-3-methoxyphenyl PubChem CID: 31211 ChEBI: CHEBI:68657 IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC(=C(C=C1)O)OC
2-(Bromomethyl)-1-(phenylsulfonyl)-1H-indole, 97%, Thermo Scientific™
CAS: 337508-54-0 Molecular Formula: C15H12BrNO2S Molecular Weight (g/mol): 350.23 MDL Number: MFCD03086092 InChI Key: SYYPBRKVYRCLJS-UHFFFAOYSA-N Synonym: 2-bromomethyl-1-phenylsulfonyl-1h-indole,1-benzenesulfonyl-2-bromomethyl indole,1h-indole,2-bromomethyl-1-phenylsulfonyl PubChem CID: 2776225 IUPAC Name: 1-(benzenesulfonyl)-2-(bromomethyl)indole SMILES: BrCC1=CC2=CC=CC=C2N1S(=O)(=O)C1=CC=CC=C1
4-Acetamidobenzyl alcohol, 97%
CAS: 16375-88-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00016868 InChI Key: XEYORFKUJZEQCH-UHFFFAOYSA-N Synonym: 4-acetamidobenzyl alcohol,n-4-hydroxymethyl phenyl acetamide,4-acetaminobenzyl alcohol,4-acetamidobenzylalcohol,n-4-hydroxymethyl-phenyl-acetamide,p-acetaminobenzyl alcohol,acetamide, n-4-hydroxymethyl phenyl,4-acetylamino benzyl alcohol PubChem CID: 152141 IUPAC Name: N-[4-(hydroxymethyl)phenyl]acetamide SMILES: CC(=O)NC1=CC=C(CO)C=C1
3-Bromo-4-fluorobenzyl alcohol, 97%
CAS: 77771-03-0 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD00143093 InChI Key: HNVVROFWONXXGO-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorobenzyl alcohol,3-bromo-4-fluorophenyl methanol,3-bromo-4-fluorobenzylalcohol,3-bromo-4-fluoro-phenyl-methanol,3-bromo-4-fluorophenyl methan-1-ol,pubchem4884,4-fluoro-3-bromobenzyl alcohol,3-bromo-4-fluoro-benzyl alcohol,4-fluoro-3-bromo-benzyl alcohol,3-bromo-4-fluoro benzyl alcohol PubChem CID: 2773351 IUPAC Name: (3-bromo-4-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1CO)Br)F
3-Bromo-2-fluorobenzoic acid, 97%, Thermo Scientific Chemicals
CAS: 161957-56-8 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00665763 InChI Key: UVKURTLVTLRSSM-UHFFFAOYSA-N Synonym: 3-bromo-2-fluoro-benzoic acid,3-bromo-2-fluorobenzoicacid,2-fluoro-3-bromobenzoic acid,benzoic acid, 3-bromo-2-fluoro,3-bromo-2-fluoro benzoic acid,buttpark 14\01-30,3-bromo-2-fluorobenzenecarboxylic acid,pubchem1318,acmc-209dnk,intermediates-zcf02220 PubChem CID: 2736313 IUPAC Name: 3-bromo-2-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)Br)F)C(=O)O