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  • 4-Fluorobenzoyl chloride
Name:4-Fluorobenzoyl chloride
CAS No:403-43-0

PRODUCT DESCRIPTION

【Name】
4-Fluorobenzoyl chloride
【Iupac name】
4-fluorobenzoyl chloride
【CAS Registry number】
403-43-0
【Synonyms】
4-Fluorobenozyl Chloride
p-Fluorobenzoyl chloride
【EINECS(EC#)】
206-961-4
【Molecular Formula】
C7H4ClFO (Products with the same molecular formula)
【Molecular Weight】
158.56
【Inchi】
InChI=1/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
【InChIKey】
CZKLEJHVLCMVQR-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1C(=O)Cl)F
【MOL File】
403-43-0.mol

Chemical and Physical Properties

【Appearance】
clear to light yellow liquid
【Density】
1.34
【Melting Point】
9℃
【Boiling Point】
82℃ (20 torr)
【Vapour】
0.000277mmHg at 25°C
【Refractive Index】
1.5299-1.5319
【Flash Point】
82℃
【Water】
Decomposes
【Solubilities】
Decomposes
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29163900
【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:158.557463 [g/mol]
Molecular Formula:C7H4ClFO
XLogP3:3.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:157.993471
MonoIsotopic Mass:157.993471
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:130
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 Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R34
【Safety Statements 】
S26;S28
【HazardClass】
8
【Hazard Note】

Corrosive/Lachrymatory

【Safety】
Hazard Codes:C
Risk Statements:34-36/37-14
34:Causes burns
36/37:Irritating to eyes and respiratory system
14:Reacts violently with water
Safety Statements:26-36/37/39-45-28A-27
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
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
27:Take off immediately all contaminated clothing
RIDADR:UN 3265 8/PG 2
WGK Germany:3
HazardClass:8
PackingGroup:II
Hazard Note:Corrosive/Lachrymatory
HS Code:29163900
【PackingGroup 】
II
【Sensitive】
Lachrymatory
【Transport】
250kgs
【Specification】

clear colourless to light yellow liquid
Safety Statements:26-36/37/39-45-28A-27
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
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
27:Take off immediately all contaminated clothing

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