XENON DIFLUORIDE

Iupac Name：difluoroxenon

Molecular Weight：169.29

Modify Date.: 2022-11-25 07:45

Introduction: Xenon difluoride is a powerful fluorinating and oxidizing agent. Useful in the direct fluorination of alkenes and aromatics. Commercial uses include an etchant for silicon. View more+

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1. Names and Identifiers

1.1 Name: XENON DIFLUORIDE
1.2 Synonyms: Difluoroxenon(II) Xenon difluoride (XeF2) Xenon fluoride (XeF2) XENON(II) DIFLUORIDE Xenon(II) fluoride

1.3 CAS No.: 13709-36-9

1.4 CID: 83674

1.5 EINECS(EC#): 237-251-2

1.6 Molecular Formula: F2Xe (isomer)

1.7 Inchi: InChI=1S/F2Xe/c1-3-2

1.8 InChkey: IGELFKKMDLGCJO-UHFFFAOYSA-N

1.9 Canonical Smiles: F[Xe]F

1.10 Isomers Smiles: F[Xe]F

2. Properties

2.1 Density: 4.32 g/mL at 25 °C(lit.)

2.1 Melting point: 129 °C(lit.)

2.1 Boiling point: 114.35°C (estimate)

2.1 Flash Point: None

2.1 Precise Quality: 169.90100

2.1 PSA: 0.00000

2.1 logP: 0.45960

2.1 Appearance: white crystalline solid

2.2 Storage: Moisture Sensitive. Store under Argon. Ambient temperatures.

2.3 Chemical Properties: white crystalline solid XENON DIFLUORIDESupplier

2.4 Color/Form: White

2.5 Water Solubility: Decomposes in water.

2.6 Stability: Stable. Incompatible with air, moisture. Releases fluorine on decomposition. Contact with combustible material may cause fire. (Traces of xenon tetrafluoride are sometimes found with this material. When exposed to moisture, the tetrafluoride may form the e

3. Use and Manufacturing

3.1 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 86 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H271 (20.93%): May cause fire or explosion; strong Oxidizer [Danger Oxidizing liquids; Oxidizing solids]
H272 (79.07%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
H301 (97.67%): Toxic if swallowed [Danger Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H330 (97.67%): Fatal if inhaled [Danger Acute toxicity, inhalation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P210, P220, P221, P260, P264, P270, P271, P280, P283, P284, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P306+P360, P310, P320, P321, P330, P363, P370+P378, P371+P380+P375, P403+P233, P405, and P501

3.2 Usage: Xenon difluoride is a powerful fluorinating and oxidizing agent. Useful in the direct fluorination of alkenes and aromatics. Commercial uses include an etchant for silicon.

4. Safety and Handling

4.1 Hazard Codes: O; T+

4.1 Risk Statements: 8-25-26-34

4.1 Safety Statements: 17-26-28-36/37/39-45

4.1 Packing Group: II

4.1 Hazard Class: 5.1

4.1 Hazard Declaration: H272; H301; H314; H330

4.1 RIDADR: UN 3087 5.1/PG 2

4.1 Caution Statement: P210; P220; P280; P304 + P340 + P310; P305 + P351 + P338

4.1 WGK Germany: 3

4.1 RTECS: ZE1294166

4.1 Sensitive: Moisture Sensitive

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Oxidizing solids, Category 2

Acute toxicity - Oral, Category 3

Skin corrosion, Category 1B

Acute toxicity - Inhalation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H272 May intensify fire; oxidizer H301 Toxic if swallowed H314 Causes severe skin burns and eye damage H330 Fatal if inhaled
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P220 Keep away from clothing and other combustible materials. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P284 [In case of inadequate ventilation] wear respiratory protection.
Response	P370+P378 In case of fire: Use ... to extinguish. P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P320 Specific treatment is urgent (see ... on this label).
Storage	P405 Store locked up. P403+P233 Store in a well-ventilated place. Keep container tightly closed.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. Synthesis Route

13709-36-9Total: 24 Synthesis Route

373-91-1 2 Suppliers

13709-36-9 28 Suppliers

Literatures:
Inorganic Chemistry, , vol. 4, p. 759 - 759 He: Edelgasverb., 1.8.1.2.1, page 26 - 29 US3377136 , ; C. A., , vol. 68, p. 106519
Yield: null

13875-06-4

13709-36-9 28 Suppliers

Literatures:
Journal of Physical Chemistry, , vol. 71, p. 3339 - 3339 He: Edelgasverb., 1.8.4.3, page 94 - 95
Yield: null

13709-61-0 4 Suppliers

13709-36-9 28 Suppliers

Literatures:
Zeitschrift fuer Anorganische und Allgemeine Chemie, , vol. 472, p. 7 - 25
Yield: null

View all

7. Precursor and Product

precursor:

353-85-5

65014-02-0

1160219-14-6

13776-58-4

10022-50-1

13780-64-8

13774-85-1

1188556-92-4

26024-71-5

7732-18-5

13875-06-4

21308-45-2

7664-39-3

36509-16-7

7789-25-5

25599-15-9

375-00-8

373-91-1

7446-09-5

10049-14-6

13709-61-0

1239907-95-9

13536-85-1

422-04-8

View all

product :

10060-10-3

116-15-4

430-61-5

79-38-9

355-42-0

76-15-3

14835-14-4

391199-64-7

675-15-0

16893-92-8

462-06-6

7783-61-1

75-37-6

367-11-3

67321-81-7

329009-02-1

755-25-9

55560-60-6

76-19-7

329009-01-0

726203-13-0

39274-39-0

354-33-6

420-56-4

36650-04-1

726203-15-2

View all

8. Other Information

8.0 Mesh Entry Terms: xenon difluoride

8.1 Manufacturing Info: Xenon fluoride (XeF2): ACTIVE

8.2 Usage: Used as Fluorinating agent and oxidizing agent, gaseous etchant for silicon, particularly in the production of microelectromechanical systems (MEMS).

8.3 Merck: 14,10072

8.4 Uses: Xenon difluoride is a powerful fluorinating and oxidizing agent. Useful in the direct fluorination of alkenes and aromatics. Commercial uses include an etchant for silicon.

8.5 Chemical Properties: white crystalline solid

9. Computational chemical data

Molecular Weight: 169.29g/mol
Molecular Formula: F₂Xe
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 169.90096141
Monoisotopic Mass: 169.90096141
Complexity: 2.8
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 0
Heavy Atom Count: 3
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcQAAAYAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Question & Answer

Fluorination with xenon difluoride Jun 14 2021
Is this an error? Why is the nitro group reduced as the benzene ring is oxidized? I don't see any possible reducing agents here.. Also, what is the mechanism of aromatic fluorination by xenon difluoride? This appears analogous to electrophilic aromatic substitution in which benzene acts as a nucleo...

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Time: 2023/03/01

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xenon difluoride