3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE

Modify Date: 2024-01-10 22:54:13

3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE Structure
3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE structure
Common Name 3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE
CAS Number 13610-55-4 Molecular Weight 188.18300
Density 1.301g/cm3 Boiling Point 368.9ºC at 760mmHg
Molecular Formula C10H8N2O2 Melting Point 119-121ºC(lit.)
MSDS N/A Flash Point 176.9ºC

 Names

Name 3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.301g/cm3
Boiling Point 368.9ºC at 760mmHg
Melting Point 119-121ºC(lit.)
Molecular Formula C10H8N2O2
Molecular Weight 188.18300
Flash Point 176.9ºC
Exact Mass 188.05900
PSA 58.93000
LogP 1.50818
Vapour Pressure 1.23E-05mmHg at 25°C
Index of Refraction 1.583

 MSDS

Name: 3-(2-Oxo-2 3-dihydro-1 3-benzoxazol-3-yl)propanenitrile 97% Material Safety Data Sheet
Synonym: 3-(2-Benzoxazolinin-3-yl)propionitril
CAS: 13610-55-4
Section 1 - Chemical Product MSDS Name:3-(2-Oxo-2 3-dihydro-1 3-benzoxazol-3-yl)propanenitrile 97% Material Safety Data Sheet
Synonym:3-(2-Benzoxazolinin-3-yl)propionitril

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13610-55-4 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3- 97% 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:

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.
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:
Vacuum or sweep up material and place into a suitable disposal 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# 13610-55-4: 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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 118 - 120 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H8N2O2
Molecular Weight: 188

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13610-55-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile - 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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
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# 13610-55-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13610-55-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13610-55-4 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 Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-36
HS Code 2934999090

 Synthetic Route

~83%

3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE Structure

3-(2-OXO-2,3-DI...

CAS#:13610-55-4

Literature: Ram, Ram N.; Soni, Vineet Kumar Journal of Organic Chemistry, 2013 , vol. 78, # 23 p. 11935 - 11947

~73%

3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE Structure

3-(2-OXO-2,3-DI...

CAS#:13610-55-4

Literature: D'Amico, John J.; Bollinger, Frederic G. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1487 - 1496

~%

3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE Structure

3-(2-OXO-2,3-DI...

CAS#:13610-55-4

Literature: Journal of Organic Chemistry, , vol. 78, # 23 p. 11935 - 11947

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile
3-Benzoxazolonyl-(3)-propionitril
3-(2-oxo-benzooxazol-3-yl)-propionitrile
3-(2-cyanoethyl)benzoxazolone
3-(2-oxo-3-hydrobenzoxazol-3-yl)propanenitrile
2-oxo-3(2H)-benzoxazolinepropionitrile