Organic compounds
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2-Nitrophenetole 98.0+%, TCI America™
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CAS: 610-67-3 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00053603 InChI Key: XGLGESCVNJSAQY-UHFFFAOYSA-N Synonym: 1-Ethoxy-2-nitrobenzene PubChem CID: 11889 IUPAC Name: 1-ethoxy-2-nitrobenzene SMILES: CCOC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 11889 |
|---|---|
| CAS | 610-67-3 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD00053603 |
| SMILES | CCOC1=CC=CC=C1[N+]([O-])=O |
| Synonym | 1-Ethoxy-2-nitrobenzene |
| IUPAC Name | 1-ethoxy-2-nitrobenzene |
| InChI Key | XGLGESCVNJSAQY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Fluoro(phenylthio)acetonitrile 97.0+%, TCI America™
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CAS: 130612-84-9 Molecular Formula: C8H6FNS Molecular Weight (g/mol): 167.20 MDL Number: MFCD06797105 InChI Key: VAMSBCYZRBSCPJ-UHFFFAOYNA-N PubChem CID: 15634483 IUPAC Name: 2-fluoro-2-(phenylsulfanyl)acetonitrile SMILES: FC(SC1=CC=CC=C1)C#N
| PubChem CID | 15634483 |
|---|---|
| CAS | 130612-84-9 |
| Molecular Weight (g/mol) | 167.20 |
| MDL Number | MFCD06797105 |
| SMILES | FC(SC1=CC=CC=C1)C#N |
| IUPAC Name | 2-fluoro-2-(phenylsulfanyl)acetonitrile |
| InChI Key | VAMSBCYZRBSCPJ-UHFFFAOYNA-N |
| Molecular Formula | C8H6FNS |
1-Bromo-2-methylhexadecane 98.0+%, TCI America™
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CAS: 81367-59-1 Molecular Formula: C17H35Br Molecular Weight (g/mol): 319.371 MDL Number: MFCD00142588 InChI Key: VHNPILDWLZOLCU-UHFFFAOYSA-N Synonym: 2-Methylhexadecyl Bromide PubChem CID: 10757979 IUPAC Name: 1-bromo-2-methylhexadecane SMILES: CCCCCCCCCCCCCCC(C)CBr
| PubChem CID | 10757979 |
|---|---|
| CAS | 81367-59-1 |
| Molecular Weight (g/mol) | 319.371 |
| MDL Number | MFCD00142588 |
| SMILES | CCCCCCCCCCCCCCC(C)CBr |
| Synonym | 2-Methylhexadecyl Bromide |
| IUPAC Name | 1-bromo-2-methylhexadecane |
| InChI Key | VHNPILDWLZOLCU-UHFFFAOYSA-N |
| Molecular Formula | C17H35Br |
Cycloheptene 96.0+%, TCI America™
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CAS: 628-92-2 Molecular Formula: C7H12 Molecular Weight (g/mol): 96.173 MDL Number: MFCD00004156 InChI Key: ZXIJMRYMVAMXQP-UHFFFAOYSA-N Synonym: cis-cycloheptene,z-cycloheptene,cyclohept-1-ene,1-cycloheptene,z,trans-cyclohepten,e-cycloheptene,1-cycloheptene #,cycloheptene,cycloheptene, pure PubChem CID: 12363 IUPAC Name: cycloheptene SMILES: C1CCC=CCC1
| PubChem CID | 12363 |
|---|---|
| CAS | 628-92-2 |
| Molecular Weight (g/mol) | 96.173 |
| MDL Number | MFCD00004156 |
| SMILES | C1CCC=CCC1 |
| Synonym | cis-cycloheptene,z-cycloheptene,cyclohept-1-ene,1-cycloheptene,z,trans-cyclohepten,e-cycloheptene,1-cycloheptene #,cycloheptene,cycloheptene, pure |
| IUPAC Name | cycloheptene |
| InChI Key | ZXIJMRYMVAMXQP-UHFFFAOYSA-N |
| Molecular Formula | C7H12 |
Phenyl(2,4,6-trimethoxyphenyl)iodonium p-Toluenesulfonate 93.0+%, TCI America™
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CAS: 936326-60-2 Molecular Formula: C22H23IO6S Molecular Weight (g/mol): 542.384 InChI Key: GGEMRLZODUITOC-UHFFFAOYSA-M Synonym: Phenyl(2,4,6-trimethoxyphenyl)iodonium Tosylate PubChem CID: 131697920 IUPAC Name: 4-methylbenzenesulfonate;phenyl-(2,4,6-trimethoxyphenyl)iodanium SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC(=C(C(=C1)OC)[I+]C2=CC=CC=C2)OC
| PubChem CID | 131697920 |
|---|---|
| CAS | 936326-60-2 |
| Molecular Weight (g/mol) | 542.384 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC(=C(C(=C1)OC)[I+]C2=CC=CC=C2)OC |
| Synonym | Phenyl(2,4,6-trimethoxyphenyl)iodonium Tosylate |
| IUPAC Name | 4-methylbenzenesulfonate;phenyl-(2,4,6-trimethoxyphenyl)iodanium |
| InChI Key | GGEMRLZODUITOC-UHFFFAOYSA-M |
| Molecular Formula | C22H23IO6S |
Sodium 1,2,4-Triazolide 96.0+%, TCI America™
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CAS: 41253-21-8 Molecular Formula: C2H2N3Na Molecular Weight (g/mol): 91.049 MDL Number: MFCD00044437 InChI Key: NVMNEWNGLGACBB-UHFFFAOYSA-N Synonym: sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt PubChem CID: 4649906 IUPAC Name: sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene SMILES: C1=NC=N[N-]1.[Na+]
| PubChem CID | 4649906 |
|---|---|
| CAS | 41253-21-8 |
| Molecular Weight (g/mol) | 91.049 |
| MDL Number | MFCD00044437 |
| SMILES | C1=NC=N[N-]1.[Na+] |
| Synonym | sodium 1,2,4-triazol-1-ide,1,2,4-triazolylsodium,1,2,4-triazole sodium derivative,1,2,4-triazole sodium salt,sodium 1,2,4-triazolide,1h-1,2,4-triazole, sodium salt,sodium 1h-1,2,4-triazolate,1,2,4-triazole sodium,sodium 1h-1,2,4-triazolide,1,2,4-triazole, sodium salt |
| IUPAC Name | sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene |
| InChI Key | NVMNEWNGLGACBB-UHFFFAOYSA-N |
| Molecular Formula | C2H2N3Na |
2-Bromo-6-chloro-4-fluoroaniline 97.0+%, TCI America™
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CAS: 201849-14-1 Molecular Formula: C6H4BrClFN Molecular Weight (g/mol): 224.46 MDL Number: MFCD00051707 InChI Key: LIBGMUMMWYKJSC-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-6-chloro-4-fluoro,pubchem2922,acmc-209f6h,attercop-chm at130703,2-bromo-4-fluoro-6-chloroaniline,2-bromo-6-chloro-4-fluoro-aniline,2-bromo-6-chloro-4-fluorophenylamine,6-bromo-2-chloro-4-fluorophenylamine,2-bromo-6-chloro-4-fluoro-phenylamine,2-bromo-6-chloro-4-fluoroaniline PubChem CID: 614401 IUPAC Name: 2-bromo-6-chloro-4-fluoroaniline SMILES: NC1=C(Cl)C=C(F)C=C1Br
| PubChem CID | 614401 |
|---|---|
| CAS | 201849-14-1 |
| Molecular Weight (g/mol) | 224.46 |
| MDL Number | MFCD00051707 |
| SMILES | NC1=C(Cl)C=C(F)C=C1Br |
| Synonym | benzenamine, 2-bromo-6-chloro-4-fluoro,pubchem2922,acmc-209f6h,attercop-chm at130703,2-bromo-4-fluoro-6-chloroaniline,2-bromo-6-chloro-4-fluoro-aniline,2-bromo-6-chloro-4-fluorophenylamine,6-bromo-2-chloro-4-fluorophenylamine,2-bromo-6-chloro-4-fluoro-phenylamine,2-bromo-6-chloro-4-fluoroaniline |
| IUPAC Name | 2-bromo-6-chloro-4-fluoroaniline |
| InChI Key | LIBGMUMMWYKJSC-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrClFN |
Methyl 2-Amino-3-methoxybenzoate 98.0+%, TCI America™
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CAS: 5121-34-6 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.191 MDL Number: MFCD11113109 InChI Key: YJEZEMGLLFLMDF-UHFFFAOYSA-N Synonym: 2-Amino-3-methoxybenzoic Acid Methyl Ester, Methyl 2-Amino-m-anisate, 2-Amino-m-anisic Acid Methyl Ester PubChem CID: 602320 IUPAC Name: methyl 2-amino-3-methoxybenzoate SMILES: COC1=CC=CC(=C1N)C(=O)OC
| PubChem CID | 602320 |
|---|---|
| CAS | 5121-34-6 |
| Molecular Weight (g/mol) | 181.191 |
| MDL Number | MFCD11113109 |
| SMILES | COC1=CC=CC(=C1N)C(=O)OC |
| Synonym | 2-Amino-3-methoxybenzoic Acid Methyl Ester, Methyl 2-Amino-m-anisate, 2-Amino-m-anisic Acid Methyl Ester |
| IUPAC Name | methyl 2-amino-3-methoxybenzoate |
| InChI Key | YJEZEMGLLFLMDF-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO3 |
Ethylenediamine Sulfate 98.0+%, TCI America™
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CAS: 22029-36-3 Molecular Formula: C2H10N2O4S Molecular Weight (g/mol): 158.17 MDL Number: MFCD00036417 InChI Key: BNZCDZDLTIHJAC-UHFFFAOYSA-N PubChem CID: 168015 IUPAC Name: ethane-1,2-diamine; sulfuric acid SMILES: NCCN.OS(O)(=O)=O
| PubChem CID | 168015 |
|---|---|
| CAS | 22029-36-3 |
| Molecular Weight (g/mol) | 158.17 |
| MDL Number | MFCD00036417 |
| SMILES | NCCN.OS(O)(=O)=O |
| IUPAC Name | ethane-1,2-diamine; sulfuric acid |
| InChI Key | BNZCDZDLTIHJAC-UHFFFAOYSA-N |
| Molecular Formula | C2H10N2O4S |
Cucurbitacin B 98.0+%, TCI America™
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CAS: 6199-67-3 Molecular Formula: C32H46O8 Molecular Weight (g/mol): 558.712 MDL Number: MFCD07778083 InChI Key: IXQKXEUSCPEQRD-DKRGWESNSA-N PubChem CID: 5281316 ChEBI: CHEBI:3941 IUPAC Name: [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate SMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O
| PubChem CID | 5281316 |
|---|---|
| CAS | 6199-67-3 |
| Molecular Weight (g/mol) | 558.712 |
| ChEBI | CHEBI:3941 |
| MDL Number | MFCD07778083 |
| SMILES | CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O |
| IUPAC Name | [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate |
| InChI Key | IXQKXEUSCPEQRD-DKRGWESNSA-N |
| Molecular Formula | C32H46O8 |
1-Aminotridecane 98.0+%, TCI America™
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CAS: 2869-34-3 Molecular Formula: C13H29N Molecular Weight (g/mol): 199.382 MDL Number: MFCD00008156 InChI Key: ABVVEAHYODGCLZ-UHFFFAOYSA-N Synonym: 1-aminotridecane,1-tridecanamine,tridecylamine,n-tridecylamine,monotridecylamine,tridecanamine,1-tridecylamine,unii-5s0kq9wz2d,5s0kq9wz2d,tridecyl-amine PubChem CID: 40761 IUPAC Name: tridecan-1-amine SMILES: CCCCCCCCCCCCCN
| PubChem CID | 40761 |
|---|---|
| CAS | 2869-34-3 |
| Molecular Weight (g/mol) | 199.382 |
| MDL Number | MFCD00008156 |
| SMILES | CCCCCCCCCCCCCN |
| Synonym | 1-aminotridecane,1-tridecanamine,tridecylamine,n-tridecylamine,monotridecylamine,tridecanamine,1-tridecylamine,unii-5s0kq9wz2d,5s0kq9wz2d,tridecyl-amine |
| IUPAC Name | tridecan-1-amine |
| InChI Key | ABVVEAHYODGCLZ-UHFFFAOYSA-N |
| Molecular Formula | C13H29N |
5-Bromo-2-methoxybenzenesulfonyl Chloride 97.0+%, TCI America™
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CAS: 23095-05-8 Molecular Formula: C7H6BrClO3S Molecular Weight (g/mol): 285.536 MDL Number: MFCD00051768 InChI Key: IXSBNNRUQYYMRM-UHFFFAOYSA-N Synonym: 5-bromo-2-methoxybenzene-1-sulfonyl chloride,benzenesulfonyl chloride, 5-bromo-2-methoxy,5-bromo-2-methoxybenzenesulphonyl chloride,5-bromo-2-methoxy-benzenesulfonyl chloride,pubchem16355,acmc-1clw8,ksc495e9j,buttpark 100\07-65,5-bromo-2-methoxyphenyl chlorosulfone,5-bromo-2methoxybenzenesulfonyl chloride PubChem CID: 520020 IUPAC Name: 5-bromo-2-methoxybenzenesulfonyl chloride SMILES: COC1=C(C=C(C=C1)Br)S(=O)(=O)Cl
| PubChem CID | 520020 |
|---|---|
| CAS | 23095-05-8 |
| Molecular Weight (g/mol) | 285.536 |
| MDL Number | MFCD00051768 |
| SMILES | COC1=C(C=C(C=C1)Br)S(=O)(=O)Cl |
| Synonym | 5-bromo-2-methoxybenzene-1-sulfonyl chloride,benzenesulfonyl chloride, 5-bromo-2-methoxy,5-bromo-2-methoxybenzenesulphonyl chloride,5-bromo-2-methoxy-benzenesulfonyl chloride,pubchem16355,acmc-1clw8,ksc495e9j,buttpark 100\07-65,5-bromo-2-methoxyphenyl chlorosulfone,5-bromo-2methoxybenzenesulfonyl chloride |
| IUPAC Name | 5-bromo-2-methoxybenzenesulfonyl chloride |
| InChI Key | IXSBNNRUQYYMRM-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO3S |
Hexylbenzene 98.0+%, TCI America™
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CAS: 1077-16-3 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.28 MDL Number: MFCD00009526 InChI Key: LTEQMZWBSYACLV-UHFFFAOYSA-N Synonym: 1-phenylhexane,n-hexylbenzene,benzene, hexyl,hexane, 1-phenyl,unii-8e3d1a2bzp,8e3d1a2bzp,phenylhexane,hexyl-benzen,1-hexylbenzene,4-hexylbenzene PubChem CID: 14109 IUPAC Name: hexylbenzene SMILES: CCCCCCC1=CC=CC=C1
| PubChem CID | 14109 |
|---|---|
| CAS | 1077-16-3 |
| Molecular Weight (g/mol) | 162.28 |
| MDL Number | MFCD00009526 |
| SMILES | CCCCCCC1=CC=CC=C1 |
| Synonym | 1-phenylhexane,n-hexylbenzene,benzene, hexyl,hexane, 1-phenyl,unii-8e3d1a2bzp,8e3d1a2bzp,phenylhexane,hexyl-benzen,1-hexylbenzene,4-hexylbenzene |
| IUPAC Name | hexylbenzene |
| InChI Key | LTEQMZWBSYACLV-UHFFFAOYSA-N |
| Molecular Formula | C12H18 |
3,4-Dimethoxyphenylacetone 97.0+%, TCI America™
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CAS: 776-99-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008772 InChI Key: UMYZWICEDUEWIM-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone PubChem CID: 69896 IUPAC Name: 1-(3,4-dimethoxyphenyl)propan-2-one SMILES: COC1=CC=C(CC(C)=O)C=C1OC
| PubChem CID | 69896 |
|---|---|
| CAS | 776-99-8 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00008772 |
| SMILES | COC1=CC=C(CC(C)=O)C=C1OC |
| Synonym | 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)propan-2-one |
| InChI Key | UMYZWICEDUEWIM-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
5-Hydroxyisoquinoline 96.0+%, TCI America™
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CAS: 2439-04-5 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00006906 InChI Key: CSNXUYRHPXGSJD-UHFFFAOYSA-N Synonym: 5-hydroxyisoquinoline,5-isoquinolinol,5-hydroxy-isoquinoline,chembl57481,5-hydroxyisoquinolne,pubchem12826,acmc-2097ay,5-hydroxy-2-azanaphthalene PubChem CID: 30386 IUPAC Name: isoquinolin-5-ol SMILES: C1=CC2=C(C=CN=C2)C(=C1)O
| PubChem CID | 30386 |
|---|---|
| CAS | 2439-04-5 |
| Molecular Weight (g/mol) | 145.16 |
| MDL Number | MFCD00006906 |
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)O |
| Synonym | 5-hydroxyisoquinoline,5-isoquinolinol,5-hydroxy-isoquinoline,chembl57481,5-hydroxyisoquinolne,pubchem12826,acmc-2097ay,5-hydroxy-2-azanaphthalene |
| IUPAC Name | isoquinolin-5-ol |
| InChI Key | CSNXUYRHPXGSJD-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |