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| CAS No.: | 628-30-8 |
|---|---|
| Name: | PROPYL ISOTHIOCYANATE |
| Molecular Structure: | |
|
|
|
| Formula: | C4H7 N S |
| Molecular Weight: | 101.172 |
| Synonyms: | Isothiocyanicacid, propyl ester (6CI,7CI,8CI); Propyl isothiocyanate; n-Propylisothiocyanate |
| EINECS: | 211-035-8 |
| Density: | 0.978 |
| Boiling Point: | 153.3 ºC at 760 mmHg |
| Flash Point: | -15 ºC |
| Solubility: | Slightly in Water , Soluble in Alcohol |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: |
 
|
| Risk Codes: | R11;R20/21/22;R34 |
| Safety: | 36/37/39-33-27-26-16 |
| Transport Information: | UN 2924 |
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Chemistry
Molecular Structure of Propyl isothiocyanate (CAS No.628-30-8):
Molecular Formula: C4H7NS
Molecular Weight: 101.1701
IUPAC Name: 1-Isothiocyanatopropane
CAS No: 628-30-8
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 44.45 Å2
Index of Refraction: 1.484
Molar Refractivity: 31.17 cm3
Molar Volume: 108.8 cm3
Surface Tension: 27.7 dyne/cm
Density: 0.92 g/cm3
Flash Point: -15 °C
Enthalpy of Vaporization: 37.4 kJ/mol
Boiling Point: 153.3 °C at 760 mmHg
Vapour Pressure: 4.3 mmHg at 25°C
InChI: InChI=1/C4H7NS /c1-2-3-5-4-6/h2-3H2,1H3
InChIKey: KKASGUHLXWAKEZ-UHFFFAOYAZ
Std. InChI: InChI=1S/C4H7NS /c1-2-3-5-4-6/h2-3H2,1H3
Std. InChIKey: KKASGUHLXWAKEZ-UHFFFAOYSA-N
Synonyms of Propyl isothiocyanate (CAS No.628-30-8): N-Propyl isothiocyanate ; Propyl isothiocyanate ; 1-Isothiocyanatopropane ; Isothiocyanic acid propyl ester ; Isothiocyanic acid N-propyl ester ; 1-Propyl isothiocyanate ; Propyl isocyannate
Product Categories: Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
Safety Profile
Hazard Codes:
C,
F
Risk Statements:34-20/21/22-11-36/37
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R11:Highly flammable.
R36/37:Irritating to eyes and respiratory system.
Safety Statements: 36/37/39-33-27-26-16-45
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S33:Take precautionary measures against static discharges.
S27:Take off immediately all contaminated clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S16:Keep away from sources of ignition.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR:2924
HazardClass:3
PackingGroup:II