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  • 2-Chloro-6-fluorobenzaldehyde
Name:2-Chloro-6-fluorobenzaldehyde
CAS No:387-45-1

PRODUCT DESCRIPTION

【Name】
2-Chloro-6-fluorobenzaldehyde
【Iupac name】
2-chloro-6-fluorobenzaldehyde
【CAS Registry number】
387-45-1
【Synonyms】
2-Choro-6-Fluoro Benzaldehyde
【EINECS(EC#)】
206-860-5
【Molecular Formula】
C7H4ClFO (Products with the same molecular formula)
【Molecular Weight】
158.55
【Inchi】
InChI=1/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
【Canonical SMILES】
C1=CC(=C(C(=C1)Cl)C=O)F
【MOL File】
387-45-1.mol

Chemical and Physical Properties

【Appearance】
white to yellow solid
【Density】
1.352 g/cm3
【Melting Point】
34-39℃
【Boiling Point】
92℃ (10 mmHg)
【Refractive Index】
1.559
【Flash Point】
101℃
【Water】
Insoluble
【Solubilities】
insoluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29130000
【Storage temp】
Refrigerator
【Computed Properties】
Molecular Weight:158.557463 [g/mol]
Molecular Formula:C7H4ClFO
XLogP3-AA:2.1
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:129
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】
IRRITANT
【Hazard Note】

Irritant

【Sensitive】
Air Sensitive
【Transport】
200kgs

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