(1-Isocyanoethyl)benzene

Modify Date: 2024-01-11 05:28:28

(1-Isocyanoethyl)benzene Structure
(1-Isocyanoethyl)benzene structure
Common Name (1-Isocyanoethyl)benzene
CAS Number 17329-20-3 Molecular Weight 131.17400
Density 0.95 Boiling Point 98 °C (13.5018 mmHg)
Molecular Formula C9H9N Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (1-Isocyanoethyl)benzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.95
Boiling Point 98 °C (13.5018 mmHg)
Molecular Formula C9H9N
Molecular Weight 131.17400
Exact Mass 131.07300
LogP 1.89760
Index of Refraction 1.507-1.51
Storage condition Refrigerator (+4°C)

 MSDS

Name: alpha-Methylbenzyl isocyanide 96% Material Safety Data Sheet
Synonym: (1-Isocyanoethyl)benzene
CAS: 17329-20-3
Section 1 - Chemical Product MSDS Name:alpha-Methylbenzyl isocyanide 96% Material Safety Data Sheet
Synonym:(1-Isocyanoethyl)benzene

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17329-20-3 alpha-Methylbenzylisocyanide 96% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration.
Chronic:
Exposure to small amounts of cyanide compounds over long periods of time is reported to cause loss of appetite, headache, weakness, nausea, dizziness, and symptoms of irritation of the upper respiratory tract and eyes.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17329-20-3: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: yellow
Odor: stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 98 deg C @18hPa
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density: 0.950
Molecular Formula: C9H9N
Molecular Weight: 131.18

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17329-20-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
alpha-Methylbenzylisocyanide - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 17329-20-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17329-20-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17329-20-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xn: Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases 36/37/39-26
WGK Germany 3
RTECS LK8650000
HS Code 2926909090

 Synthetic Route

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(1-Isocyanoethyl)benzene Structure

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CAS#:17329-20-3

Literature: Journal of Organic Chemistry, , vol. 57, # 1 p. 229 - 234

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(1-Isocyanoethyl)benzene Structure

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CAS#:17329-20-3

Literature: Elan Pharmaceuticals, Inc.; Eli Lilly and Company Patent: US6211235 B1, 2001 ;

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(1-Isocyanoethyl)benzene Structure

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CAS#:17329-20-3

Literature: Journal of the American Chemical Society, , vol. 110, # 5 p. 1581 - 1587

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(1-Isocyanoethyl)benzene Structure

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CAS#:17329-20-3

Literature: Journal of the American Chemical Society, , vol. 110, # 5 p. 1581 - 1587

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(1-Isocyanoethyl)benzene Structure

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CAS#:17329-20-3

Literature: Tetrahedron: Asymmetry, , vol. 1, # 8 p. 531 - 534

 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%

 Synonyms

1-isocyanoethylbenzene
MFCD02664589