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331-64-6

Basic Information
CAS No.: 331-64-6
Name: 2-Fluoro-4-methoxybenzaldehyde
Article Data: 4
Molecular Structure:
Molecular Structure of 331-64-6 (2-Fluoro-4-methoxybenzaldehyde)
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: HarmfulXn, IrritantXi
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: HarmfulXn,IrritantXi
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 .