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Chemical Product CAS:459-57-44-Fluorobenzaldehyde

CAS:459-57-4
4-Fluorobenzaldehyde

  • CAS No:

    459-57-4
  • Name:

    4-Fluorobenzaldehyde
  • Molecular Formula:

    C7H5FO
  • Molecular Weight:

    124.11
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4-Fluorobenzaldehyde ( CASNO:459-57-4 )

Identification and Related Records
Name:
4-Fluorobenzaldehyde
CAS Registry number:
459-57-4
Iupac name:
4-fluorobenzaldehyde
Synonyms:
Fluorobenzaldehyde4
Fluorobenzaldehyde colorless liq
Fluorobenzaldehydecolorlessliq
p-Fluorobenzaldehyde
EINECS(EC#):
207-293-6
Molecular Formula:
C7H5FO
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
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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