4-(2-氧-1-吡咯啉基)苯磺酰氯

4-(2-氧-1-吡咯啉基)苯磺酰氯 基本信息
CAS号 112539-09-0 分子式 C10H10ClNO3S
分子量 259.70900 精确质量  259.00700
PSA  62.83000 LogP  2.88670

基本信息 展开↓

CAS号:
112539-09-0
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分子式:
C10H10ClNO3S
分子量:
259.70900
中文名称:
4-(2-氧-1-吡咯啉基)苯磺酰氯
英文名称:
4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
中文别名:
4-(2-氧-1-吡咯啉基)苯磺酰氯;
4-(2-氧代-吡咯烷酮-1-基)-苯磺酰氯-1-YL)-BENZENESULFONYLCHLORIDE;
4-(2-氧代-1-吡咯烷)苯磺酰氯
英文别名:
4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride;
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
精确分子量/精确质量:
259.00700
极性分子表面积/PSA:
62.83000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: OUAVTZYGHGCCCB-UHFFFAOYSA-N

物化性质展开↓

密度:
1.466g/cm3
熔点:
107ºC
沸点:
491ºC at 760mmHg
闪点:
250.8ºC
折射率:
1.603
蒸汽压:
8.69E-10mmHg at 25°C

安全信息展开↓

危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 4641-57-0

    1-苯基-2-吡咯烷酮

  • ~42%

  • 112539-09-0

    4-(2-氧-1-吡咯啉基)苯磺酰氯

MSDS 展开↓

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

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