Basic information
- Name:
Benzaldehyde,4-fluoro-3-phenoxy-
- Superlist Name:
- 4-Fluoro-3-phenoxybenzaldehyde
- CAS No.:
68359-57-9
- Molecular Structure:
- Formula:
- C13H9FO2
- Molecular Weight:
- 216.21
- Synonyms:
- 3-Phenoxy-4-fluorobenzaldehyde;4-Fluoro-3-phenoxybenzaldehyde;
- EINECS:
- 269-856-2
- Density:
- 1.229 g/cm3
- Boiling Point:
- 320 °C at 760 mmHg
- Flash Point:
- 142.5 °C
- Hazard Symbols:
Xn; 
N- Risk Codes:
- 22-51/53
- Safety Description:
- 61 Details
- Transport Information:
- UN 3082 9/PG 3
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Chemistry
IUPAC Name: 4-Fluoro-3-phenoxybenzaldehyde
Following is the structure of Benzaldehyde,4-fluoro-3-phenoxy- (CAS NO.68359-57-9):
Empirical Formula: C13H9FO2
Molecular Weight: 216.2078
EINECS: 269-856-2
Index of Refraction: 1.591
Molar Refractivity: 59.44 cm3
Molar Volume: 175.8 cm3
Polarizability: 23.56 10-24cm3
Surface Tension: 43 dyne/cm
Density: 1.229 g/cm3
Flash Point: 142.5 °C
Enthalpy of Vaporization: 56.16 kJ/mol
Boiling Point: 320 °C at 760 mmHg
Vapour Pressure: 0.000327 mmHg at 25 °C
Product Categories: Aromatic Aldehydes & Derivatives (substituted);Aldehydes;C10 to C21;Carbonyl Compounds
Canonical SMILES: C1=CC=C(C=C1)OC2=C(C=CC(=C2)C=O)F
InChI: InChI=1S/C13H9FO2/c14-12-7-6-10(9-15)8-13(12)16-11-4-2-1-3-5-11/h1-9H
InChIKey: JDICMOLUAHZVDS-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
Xn,
N
Risk Statements: 22-51/53
R22:Harmful if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 61
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR UN: 3082 9/PG 3
WGK Germany: 2
Hazard Note: Harmful
Specification
Benzaldehyde,4-fluoro-3-phenoxy- , its cas register number 68359-57-9. It also can be called 3-(Phenoxy)-4-fluoro-benzaldehyde ; and 4-Fluoro-3-phenoxybenzaldehyde .
