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| CAS No.: | 331-64-6 |
|---|---|
| Name: | 2-Fluoro-4-methoxybenzaldehyde |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7FO2 |
| Molecular Weight: | 154.141 |
| Synonyms: | p-Anisaldehyde,2-fluoro- (8CI);4-Methoxy-2-fluorobenzaldehyde; |
| EINECS: | 642-882-5 |
| Density: | 1.192 g/cm3 |
| Melting Point: | 43-48 °C(lit.) |
| Boiling Point: | 226.5 °C at 760 mmHg |
| Flash Point: | 88.4 °C |
| Appearance: | white to off-white crystalline solid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26-36 |
| PSA: | 26.30000 |
| LogP: | 1.64680 |
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Chemistry
Molecular Structure of 2-Fluoro-4-methoxybenzaldehyde (CAS No.331-64-6):
Molecular Formula: C8H7FO2
Molecular Weight: 154.14
IUPAC Name: 2-Fluoro-4-methoxybenzaldehyde
CAS No: 331-64-6
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.525
Molar Refractivity: 39.67 cm3
Molar Volume: 129.3 cm3
Surface Tension: 35.7 dyne/cm
Density: 1.192 g/cm3
Flash Point: 88.4 °C
Melting Point: 44-48 ºC
Enthalpy of Vaporization: 46.31 kJ/mol
Boiling Point: 226.5 °C at 760 mmHg
Vapour Pressure: 0.0815 mmHg at 25°C
Appearance: White to off-white crystalline solid
Sensitive of 2-Fluoro-4-methoxybenzaldehyde (CAS No.331-64-6): Air Sensitive
Canonical SMILES: COC1=CC(=C(C=C1)C=O)F
InChI: InChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKey: UNWQNFJBBWXFBG-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes Derivatives (substituted);Benzene series;Benzaldehyde;Adehydes, Acetals Ketones;Anisoles, Alkyloxy Compounds Phenylacetates;Fluorine Compounds
Safety Profile
Safety Information of 2-Fluoro-4-methoxybenzaldehyde (CAS No.331-64-6):
Hazard Codes: 
Xn,
Xi
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 37/39-26-36
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
2-Fluoro-4-methoxybenzaldehyde (CAS No.331-64-6), it also can be called 2-Fluoro-p-anisaldehyde ; Benzaldehyde, 2-fluoro-4-methoxy- ; 3-Fluoro-4-methoxybenzonitrile ; Benzoic acid, 2-methoxy-3-(trifluoromethyl)- . It should be avoid breathing dust, vapor, mist, or gas. avoid contact with skin and eyes. And it should be stored in a cool, dry place. Store in a tightly closed container. Store under an inert atmosphere .