1-Ethynyl-3-fluorobenzene

Modify Date: 2024-01-04 15:37:42

1-Ethynyl-3-fluorobenzene Structure
1-Ethynyl-3-fluorobenzene structure
Common Name 1-Ethynyl-3-fluorobenzene
CAS Number 2561-17-3 Molecular Weight 120.124
Density 1.1±0.1 g/cm3 Boiling Point 148.7±23.0 °C at 760 mmHg
Molecular Formula C8H5F Melting Point N/A
MSDS Chinese USA Flash Point 26.2±15.7 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

Name 1-ethynyl-3-fluorobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 148.7±23.0 °C at 760 mmHg
Molecular Formula C8H5F
Molecular Weight 120.124
Flash Point 26.2±15.7 °C
Exact Mass 120.037529
LogP 2.45
Vapour Pressure 5.3±0.3 mmHg at 25°C
Index of Refraction 1.516

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 3-Fluorophenylacetylene
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H226:Flammable liquid and vapour
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:3-Fluorophenylacetylene
CAS number:2561-17-3

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels, refrigerated.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
No data
Boiling point:
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C8H5F
Molecular weight: 120.1

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
UN Number:UN1993Class: 3Packing group: III
Proper shipping name: FLAMMABLE LIQUIDS, N.O.S. (3-Fluorophenylacetylene)

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi:Irritant;
Risk Phrases R10;R36/37/38
Safety Phrases S16-S26-S36
RIDADR UN 1993 3/PG 3
WGK Germany 3
HS Code 2903999090

 Synthetic Route

~82%

1-Ethynyl-3-fluorobenzene Structure

1-Ethynyl-3-flu...

CAS#:2561-17-3

Literature: Kodaira, Kazuo; Okuhara, Kunio Bulletin of the Chemical Society of Japan, 1988 , vol. 61, # 5 p. 1625 - 1632

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1-Ethynyl-3-fluorobenzene Structure

1-Ethynyl-3-flu...

CAS#:2561-17-3

Literature: Tetrahedron Letters, , p. 5209 - 5212

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1-Ethynyl-3-fluorobenzene Structure

1-Ethynyl-3-flu...

CAS#:2561-17-3

Literature: Journal of the American Chemical Society, , vol. 85, p. 3492 - 3496

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1-Ethynyl-3-fluorobenzene Structure

1-Ethynyl-3-flu...

CAS#:2561-17-3

Literature: Journal of the American Chemical Society, , vol. 85, p. 3492 - 3496

~%

1-Ethynyl-3-fluorobenzene Structure

1-Ethynyl-3-flu...

CAS#:2561-17-3

Literature: Journal of the American Chemical Society, , vol. 85, p. 3492 - 3496

~%

1-Ethynyl-3-fluorobenzene Structure

1-Ethynyl-3-flu...

CAS#:2561-17-3

Literature: Journal of the American Chemical Society, , vol. 85, p. 3492 - 3496

~%

1-Ethynyl-3-fluorobenzene Structure

1-Ethynyl-3-flu...

CAS#:2561-17-3

Literature: Bulletin of the Chemical Society of Japan, , vol. 61, # 5 p. 1625 - 1632

~%

1-Ethynyl-3-fluorobenzene Structure

1-Ethynyl-3-flu...

CAS#:2561-17-3

Literature: Journal of Fluorine Chemistry, , vol. 23, p. 497

 Customs

HS Code 2903999090
Summary 2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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 Synonyms

1-Ethynyl-3-fluorobenzene
1-(1-ethynyl)-3-fluorobenzene
Benzene, 1-ethynyl-3-fluoro-
3-F-phenylacetylene
(3-fluorophenyl)acetylene
1-fluoro-3-ethynylbenzene
3-FC6H4CCH
MFCD03093798
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