2-METHYL-4-NITROPHENYL ISOCYANATE
Catalog No: FT-0612963
CAS No: 56309-59-2
- Molecular Formula: 178.14
- Formula Weight: C8H6N2O3
- Inchl Key: FZCFUPBIPMLIPI-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H6N2O3/c1-6-4-7(10(12)13)2-3-8(6)9-5-11/h2-4H,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | Warning |
|---|---|
| FW: | 178.14500 |
| Density: | 1.27g/cm3 |
| CAS: | 56309-59-2 |
| Bolling_Point: | 168ºC(23 torr) |
| Product_Name: | 1-isocyanato-2-methyl-4-nitrobenzene |
| Melting_Point: | 81-84ºC |
| Flash_Point: | N/A |
| MF: | C8H6N2O3 |
| Molecular_Structure: | ['1 . Molar refractive index 4624 ', '2 . Molar volume 1393 ', '3 . Parachor （902K）3717 ', '4 . Surface tension 507 ', '5 . Polarizability 1833 ', '6 . Dielectric constant 未确定'] |
|---|---|
| Refractive_Index: | 1.578 |
| FW: | 178.14500 |
| Density: | 1.27g/cm3 |
| Bolling_Point: | 168ºC(23 torr) |
| Computational_Chemistry: | ['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 752 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :242 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| LogP: | 2.39370 |
| Melting_Point: | 81-84ºC |
| PSA: | 75.25000 |
| MF: | C8H6N2O3 |
| More_Info: | ['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）81-84 ', '5 . Boiling point（ºC,Atmospheric pressure）168/23mmHg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）168 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用'] |
| Exact_Mass: | 178.03800 |
| Hazard_Codes: | Xn |
|---|---|
| Symbol: | Warning |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Warning_Statement: | P261-P280-P305 + P351 + P338 |
| HS_Code: | 2929109000 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| Risk_Statements(EU): | R20/21/22;R36/37/38;R42 |
| Safety_Statements: | S22-S26-S36/37/39-S45 |
| RIDADR: | UN 2811 |
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