CAS Number127913-44-4
Synonyms(3S)-4-Chloro-3-hydroxybutanenitrile; (3S)-4-Chlor-3-hydroxybutanonitril; MFCD00273363
Molecular FormulaClCH2CH(OH)CH2CO2C2H5
Molecular Weight166.60
Purity96%
Density1.2±0.1 g/cm3
Boiling Point93-95 °C/5 mmHg (lit.)
AppearanceColorless to light yellow liquid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 127913-44-4 |
| Catalog No. | 2A-9000350 |
| Chinese Name | (S)-4-氯-3-羟基丁腈 |
| Synonyms | (3S)-4-Chloro-3-hydroxybutanenitrile; (3S)-4-Chlor-3-hydroxybutanonitril; MFCD00273363 |
| Molecular Formula | ClCH2CH(OH)CH2CO2C2H5 |
| Molecular Weight | 166.60 |
| Purity | 96 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 93-95 °C/5 mmHg (lit.) |
| Appearance | Colorless to light yellow liquid |
| Storage Condition | Room Temperature |
| HTC | 2942000000 |
| PubChem ID | 24869707 |
| MDL Number | MFCD00211241 |
| SMILES | CCOC(=O)C[C@H](O)CCl |
| InChI | 1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1 |
| InChI Key | ZAJNMXDBJKCCAT-YFKPBYRVSA-N |
| Beilstein/REAXYS | 4657170 |
| NACRES Code | NA.22 |
| UNSPSC | 12352101 |
| MSDS | msds/350_1_127913_44_4.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular weight:119.6 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Hazard Codes Xi HS Code 2942000000 Synthetic Route (S)-(+)-Epichlo... CAS#:67843-74-7 Sodium cyanide CAS#:143-33-9 (S)-4-Chloro-3-... CAS#:127913-44-4 Literature: Synthesis, , # 16 p. 2629 - 2632 sodium cyanide CAS#:773837-37-9 CAS#:146864-19-9 (S)-4-Chloro-3-... CAS#:127913-44-4 Literature: Letters in Organic Chemistry, , vol. 9, # 7 p. 520 - 521 (S)-(+)-Epichlo... CAS#:67843-74-7 Trimethylsilyl ... CAS#:7677-24-9 (S)-4-Chloro-3-... CAS#:127913-44-4 Literature: Synthesis, , # 14 p. 2161 - 2164 Precursor & DownStream Precursor 8 CAS#:67843-74-7 (S)-(+)-Epichlo... CAS#:143-33-9 Sodium cyanide CAS#:773837-37-9 sodium cyanide CAS#:7677-24-9 Trimethylsilyl ... DownStream 2 CAS#:10488-69-4 4-Chloro-3-hydr... CAS#:122536-94-1 (S)-3-Hydroxypy... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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