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4-Fluorobenzaldehyde ( CASNO:459-57-4 )
Identification and Related Records
- CAS Registry number:
- Iupac name:
Fluorobenzaldehyde colorless liq
- Molecular Formula:
- Molecular Weight:
- Canonical SMILES:
Chemical and Physical Properties
- Clear very slight yellow liquid.
- Melting Point:
- Boiling Point:
- 181℃ (758 mmHg)
- 3.51mmHg at 25°C
- Refractive Index:
- Flash Point:
- Stable under normal temperatures and pressures.
- HS Code:
- Storage temp:
- Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
- Computed Properties:
- Molecular Weight:124.112403 [g/mol]
Rotatable Bond Count:1
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1
Safety and Handling
- Hazard Codes:
- Risk Statements:
- Safety Statements:
- Hazard Note:
- Hazard Codes:?Xi,F
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-27
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S27: Take off immediately all contaminated clothing.?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 1989 3/PG 3
WGK: Germany 2
Hazard Note: Flammable
HS Code: 29130000
- Air Sensitive
- UN 1989 3/PG 3
Clear colorless to yellow liquid
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
37/39:Wear suitable protective clothing, gloves and eye/face protection
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
27:Take off immediately all contaminated clothing
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