4-Ethynylbenzonitrile

Modify Date: 2024-01-03 14:50:36

4-Ethynylbenzonitrile Structure
4-Ethynylbenzonitrile structure
Common Name 4-Ethynylbenzonitrile
CAS Number 3032-92-6 Molecular Weight 127.143
Density 1.1±0.1 g/cm3 Boiling Point 230.2±23.0 °C at 760 mmHg
Molecular Formula C9H5N Melting Point 156-160ºC(lit.)
MSDS Chinese USA Flash Point 92.9±15.1 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-ethynylbenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 230.2±23.0 °C at 760 mmHg
Melting Point 156-160ºC(lit.)
Molecular Formula C9H5N
Molecular Weight 127.143
Flash Point 92.9±15.1 °C
Exact Mass 127.042198
PSA 23.79000
LogP 1.84
Appearance of Characters Solid | Pale yellow
Vapour Pressure 0.1±0.5 mmHg at 25°C
Index of Refraction 1.566
Water Solubility Slightly soluble in water.

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 4-Ethynylbenzonitrile
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
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:4-Ethynylbenzonitrile
CAS number:3032-92-6

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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.

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: C9H5N
Molecular weight: 127.1

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

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:UN3439Class: 6.1Packing group: III
Proper shipping name: NITRILES, TOXIC, SOLID, N.O.S. (4-Ethynylbenzonitrile)

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 GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases 36/37/38
Safety Phrases 26-36
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2926909090

 Synthetic Route

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles1

More Articles
Hydrogen bonding to multifunctional molecules: spectroscopic and ab initio investigation of 4-ethynylbenzonitrile-(water)(1-3) complexes.

J. Phys. Chem. A 114(32) , 8337-44, (2010)

The water complexes of 4-ethynylbenzonitrile (4EBzN) were investigated with IR-UV double resonance spectroscopy. Water interacts with the pi electron density of the C[triple bond]N group in 4EBzN, lea...

 Synonyms

Benzonitrile,4-ethynyl
4-(1-ethynyl)benzonitrile
4-cyanophenylacetylene
MFCD04974058
p-cyanophenylacetylene
4-Ethynylbenzonitrile 97
4-Ethynyl-benzonitrile
Benzonitrile, 4-ethynyl-
4-ethynylbenzenecarbonitrile
(4-cyanophenyl)ethyne
4-Ethynylbenzonitrile
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