4-Chlorophenylsulfonylacetone

Modify Date: 2024-01-03 09:53:49

4-Chlorophenylsulfonylacetone Structure
4-Chlorophenylsulfonylacetone structure
Common Name 4-Chlorophenylsulfonylacetone
CAS Number 5000-48-6 Molecular Weight 232.68400
Density 1.342 g/cm3 Boiling Point 396.2ºC at 760 mmHg
Molecular Formula C9H9ClO3S Melting Point 89-91 °C
MSDS N/A Flash Point 193.4ºC

 Names

Name 4-Chlorophenylsulfonylacetone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.342 g/cm3
Boiling Point 396.2ºC at 760 mmHg
Melting Point 89-91 °C
Molecular Formula C9H9ClO3S
Molecular Weight 232.68400
Flash Point 193.4ºC
Exact Mass 231.99600
PSA 59.59000
LogP 2.78350
Index of Refraction 1.54

 MSDS

Name: 4-Chlorophenylsulfonylacetone Material Safety Data Sheet
Synonym:
CAS: 5000-48-6
Section 1 - Chemical Product MSDS Name:4-Chlorophenylsulfonylacetone Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5000-48-6 4-Chlorophenylsulfonylacetone unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 5000-48-6: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 89 - 91 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C9H9ClO3S
Molecular Weight: 232.69

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5000-48-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chlorophenylsulfonylacetone - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 5000-48-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5000-48-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5000-48-6 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: Harmful;
Risk Phrases 36/37/38-22
Safety Phrases S37/39-S26
HS Code 2914700090

 Synthetic Route

~54%

4-Chlorophenylsulfonylacetone Structure

4-Chlorophenyls...

CAS#:5000-48-6

Literature: Xie; Chen Synthetic Communications, 2001 , vol. 31, # 20 p. 3145 - 3149

~%

4-Chlorophenylsulfonylacetone Structure

4-Chlorophenyls...

CAS#:5000-48-6

Literature: Pokhodylo, Nazariy T.; Matiychuk, Vasyl S.; Obushak, Mykola D. Synthesis, 2009 , # 14 art. no. Z03509SS, p. 2321 - 2323

~%

4-Chlorophenylsulfonylacetone Structure

4-Chlorophenyls...

CAS#:5000-48-6

Literature: Troeger; Mueller Archiv der Pharmazie (Weinheim, Germany), 1914 , vol. 252, p. 45

~%

4-Chlorophenylsulfonylacetone Structure

4-Chlorophenyls...

CAS#:5000-48-6

Literature: Ohta; Sudoh Yakugaku Zasshi, 1949 , vol. 69, p. 43,45 Chem.Abstr., 1950 , p. 1485

~%

4-Chlorophenylsulfonylacetone Structure

4-Chlorophenyls...

CAS#:5000-48-6

Literature: Davis, Roman Synthetic Communications, 1987 , vol. 17, # 7 p. 823 - 828

~%

4-Chlorophenylsulfonylacetone Structure

4-Chlorophenyls...

CAS#:5000-48-6

Literature: Ohta; Sudoh Yakugaku Zasshi, 1949 , vol. 69, p. 43,45 Chem.Abstr., 1950 , p. 1485

~%

4-Chlorophenylsulfonylacetone Structure

4-Chlorophenyls...

CAS#:5000-48-6

Literature: Ferdinand,G. et al. Justus Liebigs Annalen der Chemie, 1976 , p. 1713 - 1726

 Customs

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 Synonyms

MFCD00018663
(4-Chlorophenylsulfonyl)acetone
1-((4-Chlorophenyl)sulfonyl)propan-2-one
1-(4-chlorophenyl)sulfonylpropan-2-one
4-CHLOROPHENYLSULFONYLACETONE