Benzenoids

Neostigmine bromide

CAS: 114-80-7 Molecular Formula: C12H19BrN2O2 Molecular Weight (g/mol): 303.20 MDL Number: MFCD00011795 InChI Key: LULNWZDBKTWDGK-UHFFFAOYSA-M Synonym: neostigmine bromide,neo-proserin,eustigmin bromide,neoserine bromide,proserine bromide,stigmanol bromide,synstigmin bromide,leostigmine bromide,kirkstigmine bromide,philostigmin bromide PubChem CID: 8246 ChEBI: CHEBI:179557 IUPAC Name: 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide SMILES: [Br-].CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C

3-[(6-Methylpyrazin-2-yl)oxy]benzoic acid, 97%, Thermo Scientific™

CAS: 906352-96-3 Molecular Formula: C12H10N2O3 Molecular Weight (g/mol): 230.223 MDL Number: MFCD09817520 InChI Key: OKPBLLHANTVVJS-UHFFFAOYSA-N Synonym: 3-6-methylpyrazin-2-yl oxy benzoic acid,benzoicacid, 3-6-methyl-2-pyrazinyl oxy,3-6-methylpyrazin-2-yloxy benzoic acid,benzoicacid,3-6-methyl-2-pyrazinyl oxy PubChem CID: 24229674 IUPAC Name: 3-(6-methylpyrazin-2-yl)oxybenzoic acid SMILES: CC1=CN=CC(=N1)OC2=CC=CC(=C2)C(=O)O

4-Benzyloxybenzoic acid, 98%

CAS: 1486-51-7 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00016527 InChI Key: AQSCHALQLXXKKC-UHFFFAOYSA-N PubChem CID: 73880 IUPAC Name: 4-phenylmethoxybenzoic acid SMILES: OC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1

3-(tert-Butyldimethylsilyloxy)phenylboronic acid, 96+%, Thermo Scientific Chemicals

CAS: 261621-12-9 Molecular Formula: C12H21BO3Si Molecular Weight (g/mol): 252.19 MDL Number: MFCD03701505 InChI Key: RDQWADDNQONTLB-UHFFFAOYSA-N Synonym: 3-tert-butyldimethylsilyl oxy phenyl boronic acid,3-tert-butyldimethylsilyloxy phenylboronic acid,3-t-butyldimethylsilyloxy phenylboronic acid,3-tert-butyl dimethylsiloxy phenyl boronic acid,3-tert-butyldimethylsilyloxy benzeneboronic acid,3-tert-butyldimethylsiloxy benzeneboronic acid,3-tert-butyldimethylsilyl oxy phenylboronic acid,3-tert-butyl dimethyl silyl oxyphenyl boronic acid,m-t-butyldimethylsilyloxy phenylboronic acid,3-t-butyl dimethylsiloxy phenyl boronic acid PubChem CID: 3463029 IUPAC Name: [3-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid SMILES: CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)B(O)O

2-Bromo-1-(4-phenoxyphenyl)ethanone 95+%, Thermo Scientific™

CAS: 28179-33-1 Molecular Formula: C14H11BrO2 Molecular Weight (g/mol): 291.14 MDL Number: MFCD01419855 InChI Key: RAXTYMXDSNWNJS-UHFFFAOYSA-N Synonym: 2-bromo-1-4-phenoxyphenyl ethanone,2-bromo-1-4-phenoxyphenyl ethan-1-one,ethanone,2-bromo-1-4-phenoxyphenyl,4-phenoxyphenacyl bromide,2-bromo-4'-phenoxyacetophenone,4'-phenoxy-2-bromoacetophenone,alpha-bromo-4'-phenoxyacetophenone,ethanone, 2-bromo-1-4-phenoxyphenyl PubChem CID: 14797675 IUPAC Name: 2-bromo-1-(4-phenoxyphenyl)ethanone SMILES: BrCC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1

Phenyl Ether-biphenyl Eutectic

CAS: 8004-13-5 Molecular Formula: C₂₄H₂₀O Molecular Weight (g/mol): 324.41 MDL Number: MFCD00148859 InChI Key: MHCVCKDNQYMGEX-UHFFFAOYSA-N Synonym: diphyl,dowtherm,dowtherm a,dinil,dinyl,therminol vp,phenyl ether-biphenyl mixture,phenyl ether-diphenyl mixture,biphenyl-diphenyl ether mixture,hsdb 137 PubChem CID: 24670 IUPAC Name: 1,1'-biphenyl;phenoxybenzene SMILES: C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)OC2=CC=CC=C2

2-Phenoxybenzoic acid, 98%

CAS: 2243-42-7 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002429 InChI Key: PKRSYEPBQPFNRB-UHFFFAOYSA-N Synonym: o-phenoxybenzoic acid,benzoic acid, 2-phenoxy,benzoic acid, o-phenoxy,phenoxybenzoic acid,ortho-phenoxybenzoic acid,2-phenoxybenzoicacid,2-carboxydiphenyl ether,2-phenoxy-benzoic acid,o-phenoxybenzoic acid,o-carboxydiphenyl ether PubChem CID: 75237 ChEBI: CHEBI:72636 IUPAC Name: 2-phenoxybenzoic acid SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O

Triclosan, USP, 97-103%, Spectrum™ Chemical

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CAS: 3380-34-5 Molecular Formula: C12H7Cl3O2 Molecular Weight (g/mol): 289.54 InChI Key: XEFQLINVKFYRCS-UHFFFAOYSA-N IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol SMILES: OC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1Cl

2-Hydroxyphenethyl alcohol, 98%

CAS: 7768-28-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002890 InChI Key: ABFCOJLLBHXNOU-UHFFFAOYSA-N Synonym: 2-hydroxyphenethyl alcohol,2-2-hydroxyethyl phenol,2-hydroxyphenylethanol,o-2-hydroxyethyl phenol,benzeneethanol, 2-hydroxy,2-2-hydroxyphenyl ethanol,o-hydroxyphenethyl alcohol,2-o-hydroxyphenyl ethanol,2-hydroxy-benzeneethanol,beta-o-hydroxyphenyl ethanol PubChem CID: 82200 ChEBI: CHEBI:64803 IUPAC Name: 2-(2-hydroxyethyl)phenol SMILES: OCCC1=CC=CC=C1O

3,4-Diaminobenzophenone, 99%

3,5-Dimethyl-p-anisic acid, 98%, Thermo Scientific™

CAS: 21553-46-8 Molecular Formula: C₁₀H₁₂O₃ Molecular Weight (g/mol): 180.2 MDL Number: MFCD00020309 InChI Key: WXVQURJGDUNJCS-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-methoxybenzoic acid,3,5-dimethyl-p-anisic acid,4-methoxy-3,5-dimethyl-benzoic acid,3,5-dimethyl anisic acid,benzoic acid, 4-methoxy-3,5-dimethyl,4-methoxy-3,5-dimethylbenzoicacid,acmc-209flo,ksc496g8f,3,5-dimethyl-4-methoxy-benzoic acid,4-methoxy-3,5-dimethyl benzoic acid PubChem CID: 88944 IUPAC Name: 4-methoxy-3,5-dimethylbenzoic acid SMILES: CC1=CC(=CC(=C1OC)C)C(=O)O

2-Methyl-3-nitrobenzyl chloride, 97%, Thermo Scientific™

CAS: 60468-54-4 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 MDL Number: MFCD00007165 InChI Key: XZNDXQGZPOZITR-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrobenzyl chloride,1-chloromethyl-2-methyl-3-nitrobenzene,alpha-chloro-2-methyl-3-nitrotoluene,1-chloromethyl-2-methyl-3-nitro-benzene,2-methyl-3-nitrobenzylchloride,benzene, 1-chloromethyl-2-methyl-3-nitro,acmc-1b2j5,ksc497o8t,2-chloromethyl-6-nitrotoluene PubChem CID: 108947 IUPAC Name: 1-(chloromethyl)-2-methyl-3-nitrobenzene SMILES: CC1=C(CCl)C=CC=C1[N+]([O-])=O

2-Iodobenzonitrile, 99%

CAS: 4387-36-4 Molecular Weight (g/mol): 229.02 MDL Number: MFCD00079761 InChI Key: JDDAFHUEOVUDFJ-UHFFFAOYSA-N Synonym: 1-cyano-2-iodobenzene,benzonitrile, 2-iodo,o-iodobenzonitrile,2-iodobenzenecarbonitrile,iodobenzonitrile,2-cyanoiodobenzene,pubchem3932,acmc-209jvq,2-iodobenzonitrile,ksc235m8d PubChem CID: 2759358 IUPAC Name: 2-iodobenzonitrile SMILES: C1=CC=C(C(=C1)C#N)I

Diphenyliodonium trifluoromethanesulfonate, 99%

CAS: 66003-76-7 Molecular Formula: C13H10F3IO3S Molecular Weight (g/mol): 430.18 MDL Number: MFCD00191356 InChI Key: SBQIJPBUMNWUKN-UHFFFAOYSA-M Synonym: diphenyliodonium trifluoromethanesulfonate,diphenyliodanium triflate,diphenyliodonium triflate,acmc-209nt6,diphenyliodonium trifluoromethansulfonat,diphenyliodanium; trifluoromethanesulfonate,diphenyliodonium trifluoromethane sulfonate,diphenyliodonium; trifluoromethanesulfonate,diphenyliodanium; tris fluoranyl methanesulfonate PubChem CID: 2737137 IUPAC Name: diphenyliodanium;trifluoromethanesulfonate SMILES: C1=CC=C(C=C1)[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

4-Iodophenyl isothiocyanate, 97%

CAS: 2059-76-9 Molecular Formula: C7H4INS Molecular Weight (g/mol): 261.08 MDL Number: MFCD00041091 InChI Key: SNLGBRZZFRSXHA-UHFFFAOYSA-N Synonym: 4-iodophenyl isothiocyanate,4-iodophenylisothiocyanate,1-iodo-4-isothiocyanato-benzene,benzene, 1-iodo-4-isothiocyanato,4-ipitc,acmc-20amg6,4-iodobenzenisothiocyanate,1-isothiocyanato-4-iodobenzene,#,benzene,1-iodo-4-isothiocyanato PubChem CID: 74938 IUPAC Name: 1-iodo-4-isothiocyanatobenzene SMILES: IC1=CC=C(C=C1)N=C=S