(3R,7AS)-3-(trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one

Modify Date: 2024-01-03 16:57:23

(3R,7AS)-3-(trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one Structure
(3R,7AS)-3-(trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one structure
Common Name (3R,7AS)-3-(trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one
CAS Number 97538-67-5 Molecular Weight 244.503
Density 1.6±0.1 g/cm3 Boiling Point 338.6±42.0 °C at 760 mmHg
Molecular Formula C7H8Cl3NO2 Melting Point 108-112ºC
MSDS Chinese USA Flash Point 158.6±27.9 °C

 Names

Name (3R,7aS)-3-(Trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 338.6±42.0 °C at 760 mmHg
Melting Point 108-112ºC
Molecular Formula C7H8Cl3NO2
Molecular Weight 244.503
Flash Point 158.6±27.9 °C
Exact Mass 242.962067
PSA 29.54000
LogP 1.22
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.573

 MSDS

(2R,5S)-2-Trichloromethyl-3-oxa-1- Revision number: 5.3
azabicyclo[3.3.0]octan-4-one
SAFETY DATA SHEET

Section1. IDENTIFICATION
Product name:(2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one

Revision number:5.3

Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDSNot classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDSNot classified
GHS label elements, including precautionary statements
Pictograms or hazard symbolsNone
Signal wordNo signal word
Hazard statementsNone
Precautionary statements:None

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Components:(2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one
>98.0%(GC)
Percent:
CAS Number:97538-67-5
Chemical Formula:C7H8Cl3NO2

Section4. FIRST AID MEASURES
Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Remove/Take off immediately all contaminated clothing. Rinse skin with
Skin contact:
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Rinse cautiously with water for several minutes. Remove contact lenses, if present
Eye contact:
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth.
Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
from the chemical:
(2R,5S)-2-Trichloromethyl-3-oxa-1-
azabicyclo[3.3.0]octan-4-one

Section5. FIRE-FIGHTING MEASURES
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

Section6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions:Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material:Comply with laws.

Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection:Protective gloves.
Eye protection:Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Solid
Form:Crystal- Powder
White - Almost white
Colour:
Odour:No data available
pH: No data available
Melting point/freezing point:111°C
No data available
Boiling point/range:
Flash point:No data available
Flammability or explosive
limits:
No data available
Lower:
Upper:No data available
No data available
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents]
Methanol
Soluble:
(2R,5S)-2-Trichloromethyl-3-oxa-1-
azabicyclo[3.3.0]octan-4-one

Section10. STABILITY AND REACTIVITY
Chemical stability:Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
products:

Section11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
Skin corrosion/irritation: No data available
No data available
Serious eye
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP =No data available
No data available
Reproductive toxicity:

Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
Crustacea:No data available
Algae:No data available
Persistence / degradability: No data available
BioaccumulativeNo data available
potential(BCF):
Mobility in soil
Log Pow:No data available
Soil adsorption (Koc):No data available
Henry's LawNo data available
constant(PaM3/mol):

Section13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

Section14. TRANSPORT INFORMATION
Hazards Class:Does not correspond to the classification standard of the United Nations
UN-No:Not listed

Section15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
(2R,5S)-2-Trichloromethyl-3-oxa-1-
azabicyclo[3.3.0]octan-4-one


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR NONH for all modes of transport

 Articles1

More Articles
H. Wang, H.; Germanas, J. P.

Synlett , 33-36, (1999)

 Synonyms

MFCD08274464
(3R,7aS)-3-(Trichloromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-1-one
(2r,5s)-2-trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octan-4-one
1H,3H-Pyrrolo[1,2-c]oxazol-1-one, tetrahydro-3-(trichloromethyl)-, (3R,7aS)-
(3R)-Trichloromethyl-cis-tetrahydropyrrolo[1,2-c]oxazol-1-one
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