Introduction：Basic information about Isocarbostyril CAS 491-30-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Isocarbostyril Basic information
| Product Name: | Isocarbostyril |
| Synonyms: | ISOCARBOSTYRIL;ISOQUINOLIN-1(2H)-ONE;ISOQUINOLIN-1-OL;1-Hydroxyisoquinoline,97%;Isocarbostyril (VAN) (8CI);Isoquinolin-1-one;Isocarbostyril 98%;isoquinolin-1(2H)-one analogue |
| CAS: | 491-30-5 |
| MF: | C9H7NO |
| MW: | 145.16 |
| EINECS: | 207-732-1 |
| Product Categories: | Aromatics;Bases & Related Reagents;Quinoline&Isoquinoline;Aromatics Compounds;Heterocycles;Nucleotides;Quinolines, Quinazolines and derivatives;Heterocyclic Series;Quinolines |
| Mol File: | 491-30-5.mol |
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Isocarbostyril Chemical Properties
| Melting point | 212-216 °C |
| Boiling point | 376.3±35.0 °C(Predicted) |
| density | 1.188±0.06 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly, Heated), Methanol (Slightly) |
| form | Powder or Crystalline Powder |
| pka | 13.62±0.20(Predicted) |
| color | White to pale brown |
| BRN | 2954 |
| InChI | InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11) |
| InChIKey | VDBNYAPERZTOOF-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C=CN1 |
| CAS DataBase Reference | 491-30-5(CAS DataBase Reference) |
Safety Information
| Risk Statements | 36/37/38 |
| Safety Statements | 22-24/25-37-26 |
| WGK Germany | 3 |
| TSCA | N |
| HS Code | 29334900 |
| Storage Class | 11 - Combustible Solids |
Isocarbostyril Usage And Synthesis
| Chemical Properties | Yellow Solid |
| Uses | 1-Hydroxyisoquinoline (cas# 491-30-5) is a compound useful in organic synthesis. |
| Definition | ChEBI: Isoquinolin-1(2H)-one is a member of isoquinolines. |
| Synthesis Reference(s) | Journal of Heterocyclic Chemistry, 27, p. 1419, 1990 DOI: 10.1002/jhet.5570270544
The Journal of Organic Chemistry, 21, p. 1337, 1956 DOI: 10.1021/jo01118a001
Synthesis, p. 791, 1983 DOI: 10.1055/s-1983-30513 |
Isocarbostyril Preparation Products And Raw materials
| Raw materials | 1-Chloroisoquinoline-->N-(pivaloyloxy)benzamide-->Benzamide, 2-ethenyl- (9CI)-->3-HYDROXYISOINDOLIN-1-ON-->Naphthalen-1,4-iMine-9-carboxylic acid, 1,4-dihydro-, 1,1-diMethylethyl ester-->methyl 2-((trimethylsilyl)ethynyl)benzoate-->N-MethoxybenzaMide-->N-VINYLFORMAMIDE-->Isoquinoline-->Vinyl acetate-->Benzoic acid |
| Preparation Products | α-Oxobenzeneacetamide-->N-PHENYLCARBAMIC ACID METHYL ESTER-->Isoquinolin-4-ol-->ISOQUINOLINE-1-CARBALDEHYDE-->1-Bromoisoquinoline |
