Basic information
- Name:
5-Cyanophthalide
- CAS No.:
82104-74-3
- Molecular Structure:
- Formula:
- C9H5NO2
- Molecular Weight:
- 159.14
- Synonyms:
- 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile;
- EINECS:
- 279-900-2
- Density:
- 1.36 g/cm3
- Melting Point:
- 201-205 °C(lit.)
- Boiling Point:
- 407.5 °C at 760 mmHg
- Flash Point:
- 199.3 °C
- Appearance:
- white to pale yellow crystalline solid
- Hazard Symbols:
Xn, 
Xi- Risk Codes:
- 20/21/22-36/37/38
- Safety Description:
- 36/37-36-26 Details
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Chemistry
Molecular structure of 5-Cyanophthalide (CAS NO.82104-74-3) is:
Product Name: 5-Cyanophthalide
CAS Registry Number: 82104-74-3
IUPAC Name: 1-Oxo-3H-2-benzofuran-5-carbonitrile
Molecular Weight: 159.1415 [g/mol]
Molecular Formula: C9H5NO2
XLogP3: 0.5
H-Bond Donor: 0
H-Bond Acceptor: 3
EINECS: 279-900-2
Melting Point: 201-205 °C(lit.)
Surface Tension: 60 dyne/cm
Density: 1.36 g/cm3
Flash Point: 199.3 °C
Enthalpy of Vaporization: 65.94 kJ/mol
Boiling Point: 407.5 °C at 760 mmHg
Vapour Pressure: 7.53E-07 mmHg at 25°C
Product Categories: Phthalides; Intermediatesofcitalopram; API intermediates; Aromatics Compounds; Aromatics; Miscellaneous Reagents
Uses
5-Cyanophthalide (CAS NO.82104-74-3) is a useful synthetic intermediate.
Safety Profile
Safty information about 5-Cyanophthalide (CAS NO.82104-74-3) is:
Hazard Codes: 
Xn,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: 36/37-36-26
S36/37:Wear suitable protective clothing and gloves.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Specification
5-Cyanophthalide , its cas register number is 82104-74-3. It also can be called 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile .It is a white to pale yellow crystalline solid.
