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| CAS No.: | 404-90-0 |
|---|---|
| Name: | 3-FLUORO-4-METHOXYPHENYLACETONITRILE |
| Article Data: | 7 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C9H8 F N O |
| Molecular Weight: | 165.167 |
| Synonyms: | Acetonitrile,(3-fluoro-4-methoxyphenyl)- (6CI,7CI,8CI) |
| Density: | 1.148 g/cm3 |
| Melting Point: | 46-48°C |
| Boiling Point: | 270.6 °C at 760 mmHg |
| Flash Point: | 117.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 33.02000 |
| LogP: | 1.90038 |
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- 40497-11-8Propanoic acid,2,3-dicyano-, ethyl ester
- 40497-30-14,6(1H,5H)-Pyrimidinedione,2-methyl-
- 40498-13-39,10-Anthracenedione,2,3-dihydro-1,4-dihydroxy-
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Chemistry
Molecular Structure of 3-Fluoro-4-methoxyphenylacetonitrile (CAS No.404-90-0):
Molecular Formula: C9H8FNO
Molecular Weight: 165.1643
CAS No: 404-90-0
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 33.02 Å2
Index of Refraction: 1.501
Molar Refractivity: 42.38 cm3
Molar Volume: 143.8 cm3
Surface Tension: 37.4 dyne/cm
Density: 1.148 g/cm3
Flash Point: 117.5 °C
Enthalpy of Vaporization: 50.88 kJ/mol
Boiling Point: 270.6 °C at 760 mmHg
Vapour Pressure: 0.00676 mmHg at 25°C
InChI: InChI=1/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
InChIKey: OFCMGCZEFVKTAN-UHFFFAOYAN
Std. InChI: InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
Std. InChIKey: OFCMGCZEFVKTAN-UHFFFAOYSA-N
IUPAC Name: 2-(3-Fluoro-4-methoxyphenyl)acetonitrile
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: 3439
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
Specification
3-Fluoro-4-methoxyphenylacetonitrile (CAS No.404-90-0), its synonyms are 3-Fluoro-4-methoxybenzyl cyanide ; (3-Fluoro-4-methoxyphenyl)acetonitrile ; Benzeneacetonitrile, 3-fluoro-4-methoxy- .