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2-[(tert-butoxy)carbonyl]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid - 97%, high purity , CAS No.851784-82-2
Basic Description
| Synonyms | 851784-82-2 | 2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid | 2-[(tert-butoxy)carbonyl]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid | 5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoq |
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| Specifications & Purity | ≥97% |
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| Storage Temp | Room temperature |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | 5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid |
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| INCHI | InChI=1S/C15H17Cl2NO4/c1-15(2,3)22-14(21)18-5-4-9-8(7-18)6-10(16)11(12(9)17)13(19)20/h6H,4-5,7H2,1-3H3,(H,19,20) |
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| InChi Key | JXBQRXIJBFUZMR-UHFFFAOYSA-N |
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| Canonical SMILES | CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C1)Cl)C(=O)O)Cl |
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| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C1)Cl)C(=O)O)Cl |
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| PubChem CID | 44514641 |
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| Molecular Weight | 346.206 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 346.200 g/mol |
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| XLogP3 | 3.400 |
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| Hydrogen Bond Donor Count | 1 |
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| Hydrogen Bond Acceptor Count | 4 |
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| Rotatable Bond Count | 3 |
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| Exact Mass | 345.053 Da |
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| Monoisotopic Mass | 345.053 Da |
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| Topological Polar Surface Area | 66.800 Ų |
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| Heavy Atom Count | 22 |
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| Formal Charge | 0 |
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| Complexity | 451.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
| Pictogram(s) | GHS07 |
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| Signal | Warning |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed |
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| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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