

Phenylethyl isothiocyanate
Catalog No: FT-0604634
CAS No: 2257-09-2
- Molecular Formula: 163.24
- Formula Weight: C9H9NS
- Inchl Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
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, GHS08 |
---|---|
CAS: | 2257-09-2 |
Flash_Point: | >230 °F |
Product_Name: | phenethyl isothiocyanate |
Bolling_Point: | 75 °C0.25 mm Hg |
FW: | 163.23900 |
Melting_Point: | N/A |
MF: | C9H9NS |
Density: | 1.094 g/mL at 25 °C(lit.) |
Refractive_Index: | n20/D 1.5888(lit.) |
---|---|
Vapor_Pressure: | 0.0427mmHg at 25°C |
Flash_Point: | >230 °F |
LogP: | 2.33190 |
Bolling_Point: | 75 °C0.25 mm Hg |
Water_Solubility: | insoluble |
FW: | 163.23900 |
PSA: | 44.45000 |
Computational_Chemistry: | ['1. XlogP 35 ', '2. Hydrogen Bond Donor Count 0 ', '3. Hydrogen Bond Acceptor Count 2 ', '4. Rotatable Bond Count 3 ', '5. Isotope Atom Count N/A ', '6. TPSA 444 ', '7. Heavy Atom Count 11 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 144 ', '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'] |
MF: | C9H9NS |
Exact_Mass: | 163.04600 |
Molecular_Structure: | ['1. Molar refractive index 5185 ', '2. Molar volume 1621 ', '3. Parachor (902K)3955 ', '4. Surface tension 353 ', '5. Dielectric constant N/A ', '6. Polarizability 2055 ', '7. Single isotope mass 163045569 Da ', '8. Nominal mass 163 Da ', '9. Average mass 1632395 Da'] |
Density: | 1.094 g/mL at 25 °C(lit.) |
More_Info: | ['1 . Appearance Colourless 有刺激性的Liquid ', '2 . Density(g/L,20ºC)1094 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC 11mmHg)139-140 ', '7 . Refractive index(nD20)15888 ', '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 反应'] |
Symbol: | GHS07, GHS08 |
---|---|
RIDADR: | UN 2206 6.1/PG 3 |
HS_Code: | 2930909090 |
Packing_Group: | III |
Hazard_Class: | 8 |
Risk_Statements(EU): | R20/21/22 |
WGK_Germany: | 3 |
Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
RTECS: | NX9115000 |
Hazard_Codes: | Xn:Harmful; |
Warning_Statement: | P261-P280-P305 + P351 + P338-P342 + P311 |
Safety_Statements: | H302 + H312 + H332-H315-H317-H319-H334-H335 |
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