112539-09-0

112539-09-0 structure
112539-09-0 structure
  • Name: 4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
  • Chemical Name: 4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
  • CAS Number: 112539-09-0
  • Molecular Formula: C10H10ClNO3S
  • Molecular Weight: 259.70900
  • Create Date: 2018-12-25 21:00:41
  • Modify Date: 2024-01-14 12:48:12

Name 4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
Synonyms 4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonylchloride
Benzenesulfonylchloride,4-(2-oxo-1-pyrrolidinyl)
4-(2-oxo-1-pyrrolidinyl)benzenesulfonyl chloride
4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonyl chloride
1-[4-(chlorosulfonyl)phenyl]pyrrolidin-2-one
Density 1.466g/cm3
Boiling Point 491ºC at 760mmHg
Melting Point 107ºC
Molecular Formula C10H10ClNO3S
Molecular Weight 259.70900
Flash Point 250.8ºC
Exact Mass 259.00700
PSA 62.83000
LogP 2.88670
Vapour Pressure 8.69E-10mmHg at 25°C
Index of Refraction 1.603
Name: 4-(2-Oxo-1-pyrrolidinyl)benzenesulfonyl chloride Material Safety Data Sheet
Synonym: None Known
CAS: 112539-09-0
Section 1 - Chemical Product MSDS Name:4-(2-Oxo-1-pyrrolidinyl)benzenesulfonyl chloride Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
112539-09-0 4-(2-Oxo-1-pyrrolidinyl)benzenesulfony 97+ unlisted
Hazard Symbols: C
Risk Phrases: 14 20/21/22 29 34

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Reacts violently with water. Harmful by inhalation, in contact with skin and if swallowed. Contact with water liberates toxic gas.
Causes burns.Water-reactive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
If water-reactive products are embedded in the skin, no water should be applied. The embedded products should be covered with a light oil. In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Water Reactive. Material will react with water and may release a flammable and/or toxic gas.
Extinguishing Media:
DO NOT USE WATER! Do NOT get water inside containers. Contact professional fire-fighters immediately. Use dry chemical, dry sand, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Do not expose spill to water. Vacuum or sweep up material and place into a suitable, dry disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Do not allow water to get into the container because of violent reaction. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale.
Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Keep container closed when not in use. Keep away from water. Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use explosion-proof ventilation equipment. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 112539-09-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: 107-107.60 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: C10H10ClNO3S
Molecular Weight: 259.71

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Combines vigorously or explosively with water. Reacts with water to form hydrogen chloride, a toxic and corrosive gas.
Conditions to Avoid:
Dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, bases, alcohols, amines, water.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, chlorine.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 112539-09-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(2-Oxo-1-pyrrolidinyl)benzenesulfonyl chloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

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

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing group: II

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 14 Reacts violently with water.
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 29 Contact with water liberates toxic gas.
R 34 Causes burns.
Safety Phrases:
S 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 112539-09-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 112539-09-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 112539-09-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Hazard Codes Xi: Irritant;

~42%

112539-09-0 structure

112539-09-0

Literature: MEMORY PHARMACEUTICALS CORPORATION Patent: US2008/200471 A1, 2008 ; Location in patent: Page/Page column 52 ; US 20080200471 A1
Precursor  1

DownStream  0