4-(TRIFLUOROMETHYL)PHENYLACETONITRILE
Catalog No: FT-0616936
CAS No: 2338-75-2
- Molecular Formula: 185.15
- Formula Weight: C9H6F3N
- Inchl Key: QNKOCFJZJWOXDE-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
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: | GHS07 |
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CAS: | 2338-75-2 |
Flash_Point: | 90.3±25.9 °C |
Product_Name: | 4-(Trifluoromethyl)phenylacetonitrile |
Bolling_Point: | 246.0±0.0 °C at 760 mmHg |
FW: | 185.146 |
Melting_Point: | 47-49 °C(lit.) |
MF: | C9H6F3N |
Density: | 1.2±0.1 g/cm3 |
Refractive_Index: | 1.458 |
---|---|
Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
Flash_Point: | 90.3±25.9 °C |
LogP: | 2.02 |
Bolling_Point: | 246.0±0.0 °C at 760 mmHg |
PSA: | 23.79000 |
Molecular_Structure: | ['1 . Molar refractive index 4069 ', '2 . Molar volume (m3/mol)1491 ', '3 . Parachor (902K)3493 ', '4 . Surface tension 301 ', '5 . Polarizability (10 -24cm 3)1613'] |
Computational_Chemistry: | ['1. XlogP :25 ', '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 238 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :205 ', '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'] |
Melting_Point: | 47-49 °C(lit.) |
MF: | C9H6F3N |
Exact_Mass: | 185.045227 |
FW: | 185.146 |
Density: | 1.2±0.1 g/cm3 |
More_Info: | ['1 . Appearance 带White 的晶体 ', '2 . Density(g/L,20ºC)123 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)43-47 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC 20mmHg)131-132 ', '7 . Refractive index(nD20)Unknow ', '8 . Flash point(ºF)>230 ', '9 . Specific rotation()Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)>110 ', '11 . Vapor pressure(Pa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,20ºC)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 不能溶解的'] |
Symbol: | GHS07 |
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RIDADR: | 3439 |
HS_Code: | 2926909090 |
Packing_Group: | III |
Hazard_Class: | 6.1 |
Risk_Statements(EU): | R20/21/22;R36/37/38 |
WGK_Germany: | 3 |
Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
Hazard_Codes: | Xn:Harmful; |
Warning_Statement: | P261-P280-P305 + P351 + P338 |
Safety_Statements: | H302 + H312 + H332-H315-H319-H335 |