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  • 3-Fluorobenzaldehyde
Name:3-Fluorobenzaldehyde
CAS No:456-48-4

PRODUCT DESCRIPTION

【Name】
3-Fluorobenzaldehyde
【Iupac name】
3-fluorobenzaldehyde
【CAS Registry number】
456-48-4
【Synonyms】
Fluorobenzaldehyde2
Fluorobenzaldehydecolorlessliq
【EINECS(EC#)】
207-266-9
【Molecular Formula】
C7H5FO (Products with the same molecular formula)
【Molecular Weight】
124.11
【Inchi】
InChI=1/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H
【InChIKey】
PIKNVEVCWAAOMJ-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC(=C1)F)C=O
【MOL File】
456-48-4.mol

Chemical and Physical Properties

【Appearance】
clear to yellow liquid
【Density】
1.17
【Melting Point】
173 C
【Boiling Point】
66-68℃ (20 mmHg)
【Vapour】
1.28mmHg at 25°C
【Refractive Index】
1.517-1.519
【Flash Point】
56℃
【Water】
insoluble
【Solubilities】
insoluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【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.
【Computed Properties】
Molecular Weight:124.112403 [g/mol]
Molecular Formula:C7H5FO
XLogP3:1.8
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:103
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:2

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
3
【Hazard Note】

Flammable

【Safety】

Safety Information of?m-Fluorobenzaldehyde (CAS NO. 456-48-4):
Hazard Codes:Xi ,F 
Risk Statements:37/38-36/37/38
37/38:Irritating to respiratory system and skin
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:24/25-37/39-26-36/37/39-27
24/25:Avoid contact with skin and eyes
37/39:Wear suitable gloves and eye/face protection
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
27:Take off immediately all contaminated clothing
RIDADR:UN 1989 3/PG 3
WGK Germany:3
Hazard Note:Flammable
TSCA:T
HazardClass:3
PackingGroup:III
HS Code:29130000

【PackingGroup 】
III
【Sensitive】
Air Sensitive
【Transport】
UN 1989
【Specification】

First Aid Measures of?m-Fluorobenzaldehyde (CAS NO. 456-48-4):
Ingestion:Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water. 
Inhalation:Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. DO NOT use mouth-to-mouth respiration. 
Skin:Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. 
Eyes:Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Storage of?m-Fluorobenzaldehyde (CAS NO. 456-48-4):
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.

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