(2-isocyanoethyl)benzene

Modify Date: 2024-01-03 08:09:44

(2-isocyanoethyl)benzene Structure
(2-isocyanoethyl)benzene structure
Common Name (2-isocyanoethyl)benzene
CAS Number 59795-89-0 Molecular Weight 131.17400
Density 0.95 Boiling Point 52ºC (2.2503 mmHg)
Molecular Formula C9H9N Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (2-isocyanoethyl)benzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.95
Boiling Point 52ºC (2.2503 mmHg)
Molecular Formula C9H9N
Molecular Weight 131.17400
Exact Mass 131.07300
LogP 1.37910
Index of Refraction 1.518-1.52
Storage condition Refrigerator (+4°C)

 MSDS

Name: Phenylethyl isocyanide 96% Material Safety Data Sheet
Synonym: (2-Isocyanoethyl)benzen
CAS: 59795-89-0
Section 1 - Chemical Product MSDS Name:Phenylethyl isocyanide 96% Material Safety Data Sheet
Synonym:(2-Isocyanoethyl)benzen

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
59795-89-0 Phenylethyl isocyanide 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.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: 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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. 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. 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.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 59795-89-0: Personal Protective Equipment Eyes: Not available.
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: Clear liquid
Color: light yellow
Odor: stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 52 deg C @3hPa
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:
Not available.
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# 59795-89-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Phenylethyl isocyanide - 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:
WGK (Water Danger/Protection)
CAS# 59795-89-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 59795-89-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 59795-89-0 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
Risk Phrases R36/37/38
Safety Phrases S26-S36-S37-S39
HS Code 2926909090

 Synthetic Route

~94%

(2-isocyanoethyl)benzene Structure

(2-isocyanoethy...

CAS#:59795-89-0

Literature: Guirado, Antonio; Zapata, Andres; Gomez, Jesus L.; Trabalon, Luis; Galvez, Jesus Tetrahedron, 1999 , vol. 55, # 31 p. 9631 - 9640

~%

(2-isocyanoethyl)benzene Structure

(2-isocyanoethy...

CAS#:59795-89-0

Literature: Grolla, Ambra A.; Podesta, Valeria; Chini, Maria Giovanna; Di Micco, Simone; Vallario, Antonella; Genazzani, Armando A.; Canonico, Pier Luigi; Bifulco, Giuseppe; Tron, Gian Cesare; Sorba, Giovanni; Pirali, Tracey Journal of Medicinal Chemistry, 2009 , vol. 52, # 9 p. 2776 - 2785

~62%

(2-isocyanoethyl)benzene Structure

(2-isocyanoethy...

CAS#:59795-89-0

Literature: Cao, Haiping; Liu, Haixia; Doemling, Alexander Chemistry - A European Journal, 2010 , vol. 16, # 41 p. 12296 - 12298

~48%

(2-isocyanoethyl)benzene Structure

(2-isocyanoethy...

CAS#:59795-89-0

Literature: Hess, Ulrich; Brosig; Komenda; Schaefer Pharmazie, 1999 , vol. 54, # 6 p. 412 - 417

 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

HANSA ISN-0141
MFCD02664670
Phenylethyl isocyanide(2-Isocyanoethyl)benzene
2-Phenylethylisocyanid
Phenylethyl isocyanide
2-phenethyl isocyanide
2-PHENYLETHYL ISOCYANIDE
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