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21243-18-5

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Basic Information
CAS No.: 21243-18-5
Name: 6-FLUOROTHIO-4-CHROMANONE
Article Data: 22
Molecular Structure:
Molecular Structure of 21243-18-5 (6-FLUOROTHIO-4-CHROMANONE)
Formula: C9H7FOS
Molecular Weight: 182.218
Synonyms: Thiochroman-4-one,6-fluoro- (8CI);6-Fluoro-2,3-dihydro-4H-thiochromen-4-one;6-Fluorothiochroman-4-one;
Density: 1.335 g/cm3
Melting Point: 89-92 °C
Boiling Point: 304.271 °C at 760 mmHg
Flash Point: 137.819 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 42.37000
LogP: 2.50420
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Chemistry

Molecular Structure of 6-Fluorothio-4-chromanone (CAS No.21243-18-5):
 
Molecular Formula: C9H7FOS 
Molecular Weight: 182.2147
CAS No: 21243-18-5
IUPAC Name: 6-Fluoro-2,3-dihydrothiochromen-4-one   
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 42.37 Å2
Index of Refraction: 1.6
Molar Refractivity: 46.71 cm3
Molar Volume: 136.4 cm3
Surface Tension: 47 dyne/cm
Density: 1.335 g/cm3
Flash Point: 137.8 °C
Enthalpy of Vaporization: 54.46 kJ/mol
Boiling Point: 304.3 °C at 760 mmHg
Vapour Pressure: 0.000883 mmHg at 25°C
InChI: InChI=1/C9H7FOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKey: NBBGHADNMPMHST-UHFFFAOYAU
Std. InChI: InChI=1S/C9H7FOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
Std. InChIKey: NBBGHADNMPMHST-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
 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.
Hazard Note: Irritant

Specification

  6-Fluorothio-4-chromanone (CAS No.21243-18-5), its synonyms are 4H-1-Benzothiopyran-4-one, 6-fluoro-2,3-dihydro- ; 6-Fluoro-2,3-dihydro-4H-thiochromen-4-one ; 6-Fluorothiochroman-4-one .