1-ethynyl-3,5-difluorobenzene

Modify Date: 2024-01-03 15:21:47

1-ethynyl-3,5-difluorobenzene Structure
1-ethynyl-3,5-difluorobenzene structure
Common Name 1-ethynyl-3,5-difluorobenzene
CAS Number 151361-87-4 Molecular Weight 138.11400
Density 1.17g/cm3 Boiling Point 147.1ºC at 760mmHg
Molecular Formula C8H4F2 Melting Point N/A
MSDS Chinese USA Flash Point 32ºC
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

Name 1-ethynyl-3,5-difluorobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.17g/cm3
Boiling Point 147.1ºC at 760mmHg
Molecular Formula C8H4F2
Molecular Weight 138.11400
Flash Point 32ºC
Exact Mass 138.02800
LogP 1.94610
Appearance of Characters liquid
Index of Refraction n20/D 1.4910(lit.)

 MSDS


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product name: 1-Ethynyl-3,5-difluorobenzene

Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
According to Regulation (EC) No1272/2008
Flammable liquids (Category 3)
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
According to European Directive 67/548/EEC as amended.
Flammable. Irritating to eyes, respiratory system and skin.
Label elements
Pictogram
Signal wordWarning
Hazard statement(s)
H226Flammable liquid and vapour.
H315Causes skin irritation.
H319Causes serious eye irritation.
H335May cause respiratory irritation.
Precautionary statement(s)
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Hazard symbol(s)
XiIrritant
R-phrase(s)
R10Flammable.
R36/37/38Irritating to eyes, respiratory system and skin.
S-phrase(s)
S16Keep away from sources of ignition - No smoking.
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36Wear suitable protective clothing.
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Formula: C8H4F2
Molecular Weight: 138,11 g/mol
CAS-No.EC-No.Index-No.ClassificationConcentration
1-Ethynyl-3,5-difluorobenzene
151361-87-4--Flam. Liq. 3; Skin Irrit. 2; Eye-
Irrit. 2; STOT SE 3; H226,
H315, H319, H335
Xi, R10 - R36/37/38
For the full text of the H-Statements mentioned in this Section, see Section 16.

Section4. FIRST AID MEASURES
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing give artificial respiration Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with water.
Consult a physician.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires,
apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray;
solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water.
Special protective equipment for fire-fighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Beware of vapours accumulating to form explosive concentrations. Vapours
can accumulate in low areas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with non-combustible absorbent material, (e.g. sand, earth, diatomaceous
earth, vermiculite) and place in container for disposal according to local / national regulations (see section
13). Keep in suitable, closed containers for disposal.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic
charge.
Conditions for safe storage
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Personal protective equipment
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with
multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to
engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Hand protection
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
standard EN 374 derived from it.
Handle with gloves.
Eye protection
Face shield and safety glasses
Skin and body protection
Choose body protection according to the amount and concentration of the dangerous substance at the
work place.
Hygiene measures
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
the end of workday.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Appearance
Formliquid
Colourlight yellow
Safety data
pH no data available
Melting pointno data available
Boiling point123 - 124 °C - lit.
Flash point33 °C - closed cup
Ignition temperature no data available
Lower explosion limit no data available
Upper explosion limit no data available
Density1,163 g/cm3 at 25 °C
Water solubilityno data available

Section10. STABILITY AND REACTIVITY
Chemical stability
Stable under recommended storage conditions.
Conditions to avoid
Heat, flames and sparks.
Materials to avoid
Strong oxidizing agents
Hazardous decomposition products
Hazardous decomposition products formed under fire conditions. - Carbon oxides, Hydrogen fluoride

Section11. TOXICOLOGICAL INFORMATION
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. Causes respiratory tract irritation.
IngestionMay be harmful if swallowed.
SkinMay be harmful if absorbed through skin. Causes skin irritation.
EyesCauses eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: no data available

Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
PBT and vPvB assessment
no data available
Other adverse effects
no data available

Section13. DISPOSAL CONSIDERATIONS
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as
this material is highly flammable. This combustible material may be burned in a chemical incinerator
equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations.
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
ADR/RID
UN-Number: 1993 Class: 3Packing group: III
Proper shipping name: FLAMMABLE LIQUID, N.O.S. (1-Ethynyl-3,5-difluorobenzene)
IMDG
UN-Number: 1993 Class: 3Packing group: IIIEMS-No: F-E, S-E
Proper shipping name: FLAMMABLE LIQUID, N.O.S. (1-Ethynyl-3,5-difluorobenzene)
Marine pollutant: No
IATA
UN-Number: 1993 Class: 3Packing group: III
Proper shipping name: Flammable liquid, n.o.s. (1-Ethynyl-3,5-difluorobenzene)



SECTION 15 - REGULATORY INFORMATION
N/A


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
Safety Phrases S16
RIDADR UN 1993 3/PG 3
WGK Germany 3
Packaging Group

 Synthetic Route

~79%

1-ethynyl-3,5-difluorobenzene Structure

1-ethynyl-3,5-d...

CAS#:151361-87-4

Literature: 3-Dimensional Pharmaceuticals, Inc. Patent: US2002/169200 A1, 2002 ;

~69%

1-ethynyl-3,5-difluorobenzene Structure

1-ethynyl-3,5-d...

CAS#:151361-87-4

Literature: Trost; Pinkerton Tetrahedron Letters, 2000 , vol. 41, # 49 p. 9627 - 9631

~%

1-ethynyl-3,5-difluorobenzene Structure

1-ethynyl-3,5-d...

CAS#:151361-87-4

Literature: Organic and biomolecular chemistry, , vol. 1, # 3 p. 498 - 506

 Synonyms

1-ethynyl-3,5-difluoro-benzene
3,5-Difluorophenylacetylene
Benzene,1-ethynyl-3,5-difluoro
1-ETHYNYL-3,5-DIFLUOROBENZENE
HCC(3,5-F2C6H3)
3,5-difluorophenylethyne
MFCD04039982
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