Organic compounds

Alfa Aesar™ Diethyl azodicarboxylate, 97%

CAS: 1972-28-7 Molecular Formula: C6H10N2O4 Molecular Weight (g/mol): 174.156 MDL Number: MFCD00009103 InChI Key: FAMRKDQNMBBFBR-BQYQJAHWSA-N Synonym: diethyl azodicarboxylate, dead, diethyl azodiformate, ethyl azodicarboxylate, diethoxycarbonyldiazene, azodicarboxylic acid diethyl ester, diethyl e-diazene-1,2-dicarboxylate, ethyl ne-n-ethoxycarbonyliminocarbamate, diethyl diazenedicarboxylate, diazenedicarboxylic acid, diethyl ester PubChem CID: 5462977 IUPAC Name: ethyl (NE)-N-ethoxycarbonyliminocarbamate SMILES: CCOC(=O)N=NC(=O)OCC

p-Cresol, +99%, ACROS Organics™

CAS: 106-44-5 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00002376 InChI Key: IWDCLRJOBJJRNH-UHFFFAOYSA-N Synonym: p-cresol, 4-cresol, 4-hydroxytoluene, p-methylphenol, phenol, 4-methyl, p-hydroxytoluene, p-tolyl alcohol, p-kresol, para-cresol, p-oxytoluene PubChem CID: 2879 ChEBI: CHEBI:17847 IUPAC Name: 4-methylphenol SMILES: CC1=CC=C(C=C1)O

1-Octanesulfonic Acid, Sodium Salt Anhydrous, HPLC Grade, ACROS Organics™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.271 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M Synonym: sodium 1-octanesulfonate, sodium octane-1-sulfonate, 1-octanesulfonic acid sodium salt, sodium octanesulfonate, 1-octanesulfonic acid, sodium salt, 1-octanesulfonate, sodium, sodium octylsulfonate, unii-j46ez5jyb3, octyl sodium sulfonate, ipc-alks-8 PubChem CID: 23669624 IUPAC Name: sodium;octane-1-sulfonate SMILES: CCCCCCCCS(=O)(=O)[O-].[Na+]

Alfa Aesar™ Dextromethorphan hydrobromide

CAS: 125-69-9 Molecular Formula: C18H26BrNO Molecular Weight (g/mol): 352.316 MDL Number: MFCD02173901 InChI Key: MISZALMBODQYFT-URVXVIKDSA-N Synonym: dextromethorphan hydrobromide, antussan, demorphan, dormethan, metrorat, medicon, tusilan, tussade, d-methorphan hydrobromide, romilar PubChem CID: 5464025 SMILES: CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC.Br

Ethyl Ether Anhydrous (BHT Stabilized/Certified ACS), Fisher Chemical

CAS: 60-29-7 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00011646 InChI Key: RTZKZFJDLAIYFH-UHFFFAOYSA-N Synonym: diethyl ether, ether, ethyl ether, diethyl oxide, ethyl oxide, aether, pronarcol, anesthetic ether, 3-oxapentane, anaesthetic ether PubChem CID: 3283 ChEBI: CHEBI:35702 IUPAC Name: ethoxyethane SMILES: CCOCC

Chloroform (Ethanol as Preservative/Certified ACS), Fisher Chemical Available on GSA/VA Contract for Federal Government customers only.

CAS: 67-66-3 Molecular Formula: CHCl3 Molecular Weight (g/mol): 119.369 MDL Number: MFCD00000826 InChI Key: HEDRZPFGACZZDS-UHFFFAOYSA-N Synonym: trichloromethane, formyl trichloride, methane, trichloro, trichloroform, methane trichloride, methenyl trichloride, methyl trichloride, trichlormethan, chloroforme, cloroformio PubChem CID: 6212 ChEBI: CHEBI:35255 IUPAC Name: chloroform SMILES: C(Cl)(Cl)Cl

Alfa Aesar™ Ebselen

CAS: 60940-34-3 Molecular Formula: C13H9NOSe Molecular Weight (g/mol): 274.192 MDL Number: MFCD00210937 InChI Key: DYEFUKCXAQOFHX-UHFFFAOYSA-N Synonym: ebselen, 2-phenyl-1,2-benzisoselenazol-3 2h-one, ebselene, ebseleno, ebselenum, ebselene french, ebselenum latin, ebselen inn, ebseleno spanish, harmokisane PubChem CID: 3194 ChEBI: CHEBI:77543 IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

Paraformaldehyde, 16% w/v aq. soln., methanol free, Alfa Aesar™

CAS: 30525-89-4 Molecular Formula: CH2O Molecular Weight (g/mol): 30.026 MDL Number: MFCD00133991 InChI Key: WSFSSNUMVMOOMR-UHFFFAOYSA-N Synonym: formalin, methanal, formol, methylene oxide, paraformaldehyde, oxomethane, paraform, formic aldehyde, oxymethylene, methyl aldehyde PubChem CID: 712 ChEBI: CHEBI:16842 IUPAC Name: formaldehyde SMILES: C=O

4-Iodophenol, 99%, ACROS Organics™

CAS: 540-38-5 Molecular Formula: C6H5IO Molecular Weight (g/mol): 220.009 InChI Key: VSMDINRNYYEDRN-UHFFFAOYSA-N Synonym: p-iodophenol, phenol, 4-iodo, phenol, p-iodo, 4-hydroxyiodobenzene, p-hydroxyiodobenzene, 4-hydroxyphenyl iodide, 4-iodo-phenol, unii-bh194bak0b, ccris 668, bh194bak0b PubChem CID: 10894 ChEBI: CHEBI:43521 IUPAC Name: 4-iodophenol SMILES: C1=CC(=CC=C1O)I

Alfa Aesar™ cis-Stilbene, 97%

CAS: 645-49-8 Molecular Formula: C14H12 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00004788 InChI Key: PJANXHGTPQOBST-QXMHVHEDSA-N Synonym: cis-stilbene, z-stilbene, z-1,2-diphenylethene, cis-1,2-diphenylethylene, isostilbene, cis-diphenylethene, stilbene, z, z-2-phenylethenyl benzene, benzene, 1,1'-1,2-ethenediyl bis-, z, z-1,2-diphenylethylene PubChem CID: 5356785 ChEBI: CHEBI:36008 IUPAC Name: (Z)-stilbene SMILES: C1=CC=C(C=C1)C=CC2=CC=CC=C2

Methanol (Histological), Fisher Chemical Available on GSA/VA Contract for Federal Government customers only.

CAS: 67-56-1 Molecular Formula: CH4O Molecular Weight (g/mol): 32.042 MDL Number: MFCD00004595 InChI Key: OKKJLVBELUTLKV-UHFFFAOYSA-N Synonym: methyl alcohol, wood alcohol, carbinol, wood spirit, wood naphtha, methylol, methyl hydroxide, pyroxylic spirit, colonial spirit, columbian spirit PubChem CID: 887 ChEBI: CHEBI:17790 IUPAC Name: methanol SMILES: CO

Alfa Aesar™ Bilirubin, 97%

CAS: 635-65-4 Molecular Formula: C33H36N4O6 Molecular Weight (g/mol): 584.673 MDL Number: MFCD00005499 InChI Key: BPYKTIZUTYGOLE-IFADSCNNSA-N Synonym: bilirubin, hematoidin, hemetoidin, bilirubin ix-alpha, principal bile pigment, unii-rfm9x3lj49, bilirubin ixalpha, 21h-biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo, rfm9x3lj49, biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl PubChem CID: 5280352 ChEBI: CHEBI:16990 IUPAC Name: 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid SMILES: CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)C=C4C(=C(C(=O)N4)C=C)C

Gluconic acid, sodium salt, 98%, ACROS Organics™

CAS: 527-07-1 Molecular Formula: C6H11NaO7 Molecular Weight (g/mol): 218.137 MDL Number: MFCD00064210 InChI Key: UPMFZISCCZSDND-JJKGCWMISA-M Synonym: sodium gluconate, sodium d-gluconate, d-gluconic acid sodium salt, d-gluconic acid, monosodium salt, gluconic acid sodium salt, monosodium gluconate, glonsen, monosodium d-gluconate, gluconate sodium, pasexon 100t PubChem CID: 23672301 ChEBI: CHEBI:84997 IUPAC Name: sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate SMILES: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+]

trans-Cinnamic acid, 99+%, Alfa Aesar™

CAS: 140-10-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00004369 InChI Key: WBYWAXJHAXSJNI-VOTSOKGWSA-N Synonym: cinnamic acid, trans-cinnamic acid, e-cinnamic acid, 3-phenylacrylic acid, trans-3-phenylacrylic acid, zimtsaeure, 2e-3-phenylprop-2-enoic acid, 3-phenylprop-2-enoic acid, e-cinnamic acid, 3-phenylpropenoic acid PubChem CID: 444539 ChEBI: CHEBI:35697 IUPAC Name: (E)-3-phenylprop-2-enoic acid SMILES: C1=CC=C(C=C1)C=CC(=O)O

Humic acid sodium salt, tech. 50-60% (as humic acid), Alfa Aesar™

CAS: 68131-04-4 Molecular Formula: C9H8Na2O4 Molecular Weight (g/mol): 226.139 MDL Number: MFCD00135560 InChI Key: HMGUIQPKFUZDPV-UHFFFAOYSA-L Synonym: humic acid sodium salt, sodium bicyclo 2.2.1 hept-5-ene-2,3-dicarboxylate, sodium humate, disodium bicyclo 2.2.1 hept-5-en-2,3-dicarboxylate, disodium bicyclo 2.2.1 hept-5-ene-2,3-dicarboxylate, bicyclo 2.2.1 hepta-5-ene-2,3-dicarboxylic acid disodium salt PubChem CID: 21908873 IUPAC Name: disodium;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate SMILES: C1C2C=CC1C(C2C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Alfa Aesar™ Lead(II) cyclohexanebutyrate, 94%

CAS: 62637-99-4 Molecular Formula: C20H34O4Pb Molecular Weight (g/mol): 545.688 MDL Number: MFCD00036403 InChI Key: CCJZHCZMNGUOCA-UHFFFAOYSA-L Synonym: lead cyclohexanebutyrate, lead bis 4-cyclohexylbutyrate, cyclohexanebutanoic acid, lead 2+ salt, cyclohexanebutanoic acid, lead 2+ salt 2:1, lead 2+ bis 4-cyclohexylbutanoate, acmc-20akns, lead ii cyclohexanebutyrate, 4-cyclohexylbutanoate; lead 2+, biscyclohexanebutyric acid lead ii salt, $l^ 2-lead 2+ ion bis 4-cyclohexylbutanoate PubChem CID: 112896 IUPAC Name: 4-cyclohexylbutanoate;lead(2+) SMILES: C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Pb+2]

Thermo Scientific™ alpha-Ketoglutaric acid, Free Acid, >98%, Thermo Scientific™

CAS: 328-50-7 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00004165 InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N Synonym: 2-ketoglutaric acid, alpha-ketoglutaric acid, 2-oxoglutaric acid, 2-oxoglutarate, oxoglutaric acid, alpha-ketoglutarate, 2-ketoglutarate, alphaketoglutaric acid, alpha-oxoglutaric acid, 2-oxo-1,5-pentanedioic acid PubChem CID: 51 ChEBI: CHEBI:30915 IUPAC Name: 2-oxopentanedioic acid SMILES: C(CC(=O)O)C(=O)C(=O)O

Alfa Aesar™ 2-Phenylethylboronic acid, 98%

CAS: 34420-17-2 Molecular Formula: C8H11BO2 Molecular Weight (g/mol): 149.984 MDL Number: MFCD01631226 InChI Key: VPRUMANMDWQMNF-UHFFFAOYSA-N Synonym: phenethylboronic acid, phenylethane boronic acid, peba, phenylethaneboronic acid, 2-phenyl-1-ethylboronic acid, 2-phenylethyl-1-boronic acid, boronic acid, 2-phenylethyl, 2-phenylethyl boronic acid, 2-phenylethyl boronic acid, phenylethylboronic acid PubChem CID: 65389 IUPAC Name: 2-phenylethylboronic acid SMILES: B(CCC1=CC=CC=C1)(O)O

2-Propanol (Histological), Fisher Chemical Available on GSA/VA Contract for Federal Government customers only.

CAS: 67-63-0 Molecular Formula: C3H8O Molecular Weight (g/mol): 60.096 MDL Number: MFCD00011674 InChI Key: KFZMGEQAYNKOFK-UHFFFAOYSA-N Synonym: isopropanol, 2-propanol, isopropyl alcohol, 2-hydroxypropane, alkolave, avantine, hartosol, dimethylcarbinol, sec-propyl alcohol, petrohol PubChem CID: 3776 ChEBI: CHEBI:17824 IUPAC Name: propan-2-ol SMILES: CC(C)O

Alfa Aesar™ 4-Fluoro-3-(trifluoromethyl)benzaldehyde, 97%

CAS: 67515-60-0 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.113 MDL Number: MFCD00061314 InChI Key: BIUDHHGROGJSHN-UHFFFAOYSA-N Synonym: 4-fluoro-3-trifluoromethyl benzaldehyde, 3-trifluoromethyl-4-fluorobenzaldehyde, benzaldehyde, 4-fluoro-3-trifluoromethyl, 4-fluoro-3-trifluoromethyl benzaldehyde, 3-trifluoromethyl-4-fluorobenzaldehyde, alpha,alpha,alpha,4-tetrafluoro-m-tolualdehyde, pubchem1462, acmc-209nzm, ksc359a9l, 4-fluoro-3-trifluoromethyl PubChem CID: 522269 IUPAC Name: 4-fluoro-3-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=C(C=C1C=O)C(F)(F)F)F

Alfa Aesar™ Methyl 4-bromobenzoate, 98+%

CAS: 619-42-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00013531 InChI Key: CZNGTXVOZOWWKM-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-, methyl ester, methyl p-bromobenzoate, 4-bromobenzoic acid methyl ester, p-bromobenzoic acid, methyl ester, unii-ub1ysj5xar, ub1ysj5xar, benzoic acid, p-bromo-, methyl ester, pubchem3962, methyl-4-bromobenzoate, methyl p-bromo benzoate PubChem CID: 12081 IUPAC Name: methyl 4-bromobenzoate SMILES: COC(=O)C1=CC=C(C=C1)Br

Alfa Aesar™ alpha-Methylstyrene, 99%, stab. with 10-20 ppm 4-tert-butylcatechol

CAS: 98-83-9 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.179 MDL Number: MFCD00008859 InChI Key: XYLMUPLGERFSHI-UHFFFAOYSA-N Synonym: alpha-methylstyrene, 2-phenylpropene, 2-phenyl-1-propene, isopropenylbenzene, benzene, 1-methylethenyl, 2-phenylpropylene, 1-methyl-1-phenylethylene, alpha-methylstyrol, as-methylphenylethylene, 1-phenyl-1-methylethylene PubChem CID: 7407 ChEBI: CHEBI:35060 IUPAC Name: prop-1-en-2-ylbenzene SMILES: CC(=C)C1=CC=CC=C1

1-Naphthoic Acid 98%, ACROS Organics™

CAS: 86-55-5 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 MDL Number: MFCD00004007 InChI Key: LNETULKMXZVUST-UHFFFAOYSA-N Synonym: 1-naphthoic acid, 1-naphthalenecarboxylic acid, 1-carboxynaphthalene, naphthoic acid, alpha-naphthoic acid, naphthalenecarboxylic acid, carboxynaphthalene, alpha-naphthylcarboxylic acid, naphthalene-alpha-carboxylic acid, unii-2niv4o66bh PubChem CID: 6847 ChEBI: CHEBI:36466 IUPAC Name: naphthalene-1-carboxylic acid SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)O

Alfa Aesar™ Tetra-n-butylammonium perchlorate, electrochemical grade

CAS: 1923-70-2 Molecular Formula: C16H36ClNO4 Molecular Weight (g/mol): 341.917 MDL Number: MFCD00038722 InChI Key: KBLZDCFTQSIIOH-UHFFFAOYSA-M Synonym: tetrabutylammonium perchlorate, 1-butanaminium, n,n,n-tributyl-, perchlorate, tetrabutyl ammonium perchlorate, tetra-n-butylammonium perchlorate, tetrabutylammonium perchlorat, 1-butanaminium, n,n,n-tributyl-, perchlorate 1:1, acmc-1bpvk, n,n,n-tributylbutan-1-aminium perchlorate, tetrabutylammoniumperchlorate, tetrabutylazanium perchlorate PubChem CID: 74723 IUPAC Name: tetrabutylazanium;perchlorate SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[O-]Cl(=O)(=O)=O

Methanol (Certified ACS), Fisher Chemical Available on GSA/VA Contract for Federal Government customers only.

CAS: 67-56-1 Molecular Formula: CH4O Molecular Weight (g/mol): 32.042 MDL Number: MFCD00004595 InChI Key: OKKJLVBELUTLKV-UHFFFAOYSA-N Synonym: methyl alcohol, wood alcohol, carbinol, wood spirit, wood naphtha, methylol, methyl hydroxide, pyroxylic spirit, colonial spirit, columbian spirit PubChem CID: 887 ChEBI: CHEBI:17790 IUPAC Name: methanol SMILES: CO

Alfa Aesar™ 3-Fluoro-2-nitrophenol, 97%

CAS: 385-01-3 Molecular Formula: C6H4FNO3 Molecular Weight (g/mol): 157.1 MDL Number: MFCD07368753 InChI Key: GAWNBKUTBVLIPL-UHFFFAOYSA-N Synonym: 3-fluoro-2-nitro-phenol, 2-nitro-3-fluorophenol, phenol, 3-fluoro-2-nitro, 3-fluoronitro-phenol, pubchem4124, acmc-209j0i, ksc497m1h PubChem CID: 2782777 IUPAC Name: 3-fluoro-2-nitrophenol SMILES: C1=CC(=C(C(=C1)F)[N+](=O)[O-])O

4-Amino-4'-chlorobiphenyl, 97%, ACROS Organics™

CAS: 135-68-2 Molecular Formula: C12H10ClN Molecular Weight (g/mol): 203.669 InChI Key: OREQWMWYRYXCDF-UHFFFAOYSA-N Synonym: 4-amino-4'-chlorobiphenyl, 4'-chloro-1,1'-biphenyl-4-amine, 4'-chlorobiphenyl-4-ylamine, 4'-chlorobiphenyl-4-amine, 4-amino-4'-chlorodiphenyl, 1,1'-biphenyl-4-amine,4'-chloro, unii-c8tzy038qb, 4-4-chlorophenyl aniline, 4-amino-4'-chloro-biphenyl, 4-biphenylamine, 4'-chloro PubChem CID: 8675 IUPAC Name: 4-(4-chlorophenyl)aniline SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Cl)N

Alfa Aesar™ Indole-3-propionic acid, 98%

CAS: 830-96-6 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.214 MDL Number: MFCD00005660 InChI Key: GOLXRNDWAUTYKT-UHFFFAOYSA-N Synonym: 3-indolepropionic acid, indole-3-propionic acid, 3-1h-indol-3-yl propanoic acid, 1h-indole-3-propanoic acid, indolepropionic acid, indolylpropionic acid, 3-3-indolyl propionic acid, 3-3-indolyl propanoic acid, ipa auxin, 1h-indole-3-propionic acid PubChem CID: 3744 ChEBI: CHEBI:43580 IUPAC Name: 3-(1H-indol-3-yl)propanoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)CCC(=O)O

Alfa Aesar™ N-Phenylthiourea, 97%

CAS: 103-85-5 Molecular Formula: C7H8N2S Molecular Weight (g/mol): 152.215 MDL Number: MFCD00004933 InChI Key: FULZLIGZKMKICU-UHFFFAOYSA-N Synonym: n-phenylthiourea, 1-phenylthiourea, 1-phenyl-2-thiourea, phenylthiocarbamide, thiourea, phenyl, phenyl-2-thiourea, fenylthiomocovina, urea, 1-phenyl-2-thio, rcra waste number p093, phenyl-thiourea PubChem CID: 676454 ChEBI: CHEBI:46261 IUPAC Name: phenylthiourea SMILES: C1=CC=C(C=C1)NC(=S)N

3-Amino-2-methylphenylboronic acid pinacol ester, 97%, ACROS Organics™

CAS: 882678-96-8 Molecular Formula: C13H20BNO2 Molecular Weight (g/mol): 233.118 InChI Key: JMKMGPGFYMANCA-UHFFFAOYSA-N Synonym: 2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline, 3-amino-2-methylphenylboronic acid, pinacol ester, 3-amino-2-methylphenylboronic acid pinacol ester, 2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-phenylamine, 3-amino-2-methylphenyl boronic acid pinacol ester, 2-methyl-3-tetramethyl-1,3,2-dioxaborolan-2-yl aniline, 2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-phenyl-amine, 2-methyl-3-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl phenylamine, 2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzenamine, 2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzenamine PubChem CID: 46738005 IUPAC Name: 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)N)C

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