Basic information
- Name:
p-(Methylthio)phenylacetonitrile
- Superlist Name:
- 4-(Methylthio)phenylacetonitrile
- CAS No.:
38746-92-8
- Molecular Structure:
- Formula:
- C9H9NS
- Molecular Weight:
- 163.24
- Synonyms:
- Acetonitrile,[p-(methylthio)phenyl]- (6CI,7CI);4-Methylsulfanylphenylacetonitrile;[4-(Methylthio)phenyl]acetonitrile;Benzeneacetonitrile,4-(methylthio)-;
- Density:
- 1.37g/cm3
- Melting Point:
- 42-43°C
- Boiling Point:
- 375.3°Cat760mmHg
- Flash Point:
- 180.8°C
- Hazard Symbols:
- Risk Codes:
- 20/21/22-36/37/38
- Safety Description:
- 26-36/37/39 Details
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Chemistry
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Systematic Name: [4-(Methylsulfanyl)phenyl]acetonitrile
SMILES: N#CCc1ccc(SC)cc1
InChI: InChI=1/C9H9NS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3
InChIKey: BBPATOFBGJZMJM-UHFFFAOYAS
Empirical Formula: C9H9NS
Molecular Weight: 163.2395
Nominal Mass: 163
Average Mass: 163.2395
Monoisotopic Mass: 163.045569
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Index of Refraction: 1.576
Molar Refractivity: 48.59 cm3
Molar Volume: 146.8 cm3
Surface Tension: 46.6 dyne/cm
Density: 1.11 g/cm3
Flash Point: 135.3 °C
Enthalpy of Vaporization: 54.01 kJ/mol
Boiling Point: 300.1 °C at 760 mmHg
Vapour Pressure: 0.00115 mmHg at 25 °C
Melting Point of p-(Methylthio)phenylacetonitrile (CAS NO.38746-92-8): 42-43 °C
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3276
HazardClass of p-(Methylthio)phenylacetonitrile (CAS NO.38746-92-8): IRRITANT, IRRITANT-HARMFUL
Specification
p-(Methylthio)phenylacetonitrile (CAS NO.38746-92-8), its Synonyms are Acetonitrile,[p-(methylthio)phenyl]- (6CI,7CI) ; 4-Methylsulfanylphenylacetonitrile ; [4-(Methylthio)phenyl]acetonitrile ; Benzeneacetonitrile,4-(methylthio)- .