

ETHYL 2-ISOCYANATO-3-METHYLBUTYRATE,97
Catalog No: FT-0625956
CAS No: 5296-78-6
- Molecular Formula: 171.19
- Formula Weight: C8H13NO3
- Inchl Key: LXPOIQVGVGYFJA-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H13NO3/c1-4-12-8(11)7(6(2)3)9-5-10/h6-7H,4H2,1-3H3
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Product_Name: | Ethyl N-(oxomethylene)valinate |
---|---|
Flash_Point: | N/A |
Melting_Point: | N/A |
FW: | 171.19400 |
Density: | N/A |
CAS: | 5296-78-6 |
Bolling_Point: | 81-82ºC 3mm |
MF: | C8H13NO3 |
Molecular_Structure: | ['分子性质数据 ', '1 . Molar refractive index 4500 ', '2 . Molar volume (m3/mol)1649 ', '3 . Parachor (902K)3909 ', '4 . Surface tension 319 ', '5 . Polarizability (10 -24cm 3)1784'] |
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LogP: | 0.90990 |
Refractive_Index: | 1.4275 |
FW: | 171.19400 |
Bolling_Point: | 81-82ºC 3mm |
Computational_Chemistry: | ['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 557 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :195 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
PSA: | 55.73000 |
MF: | C8H13NO3 |
More_Info: | ['1 . Appearance Unknow ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)81-82 ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive index14275 ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow。'] |
Exact_Mass: | 171.09000 |
Risk_Statements(EU): | R20/22;R36/37/38;R42 |
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Packing_Group: | III |
Hazard_Class: | 6.1 |
RIDADR: | UN 2206 |
HS_Code: | 2929109000 |
Safety_Statements: | S23-S26-S36/37/39-S45 |
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