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  • 4-Fluorobenzaldehyde
Name:4-Fluorobenzaldehyde
CAS No:459-57-4

PRODUCT DESCRIPTION

【Name】
4-Fluorobenzaldehyde
【Iupac name】
4-fluorobenzaldehyde
【CAS Registry number】
459-57-4
【Synonyms】
Fluorobenzaldehyde4
Fluorobenzaldehyde colorless liq
Fluorobenzaldehydecolorlessliq
p-Fluorobenzaldehyde
【EINECS(EC#)】
207-293-6
【Molecular Formula】
C7H5FO (Products with the same molecular formula)
【Molecular Weight】
124.11
【Inchi】
InChI=1/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
【InChIKey】
UOQXIWFBQSVDPP-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1C=O)F
【MOL File】
459-57-4.mol

Chemical and Physical Properties

【Appearance】
Clear very slight yellow liquid.
【Density】
1.157
【Melting Point】
-10℃
【Boiling Point】
181℃ (758 mmHg)
【Vapour】
3.51mmHg at 25°C
【Refractive Index】
1.5195-1.5215
【Flash Point】
56℃
【Water】
IMMISCIBLE
【Solubilities】
immiscible
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29130000
【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]
Molecular Formula:C7H5FO
XLogP3:1.6
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:124.032443
MonoIsotopic Mass:124.032443
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Formal Charge:0
Complexity:95.1
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】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
3.2
【Hazard Note】

Flammable

【Safety】

Hazard Codes:?IrritantXi,FlammableF 
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
F: 9-23 
Hazard Note: Flammable 
TSCA: T 
HazardClass: 3.2 
PackingGroup: III 
HS Code: 29130000

【PackingGroup 】
III
【Sensitive】
Air Sensitive
【Transport】
UN 1989 3/PG 3
【Specification】

Clear colorless to yellow liquid
Safety Statements:26-36-37/39-36/37/39-27
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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