3-Methylsulfonyl benzoic acid

Modify Date: 2024-01-08 16:59:59

3-Methylsulfonyl benzoic acid Structure
3-Methylsulfonyl benzoic acid structure
Common Name 3-Methylsulfonyl benzoic acid
CAS Number 5345-27-7 Molecular Weight 200.212
Density 1.4±0.1 g/cm3 Boiling Point 457.8±37.0 °C at 760 mmHg
Molecular Formula C8H8O4S Melting Point 230-238 °C
MSDS Chinese USA Flash Point 230.7±26.5 °C

 Names

Name 3-(Methylsulphonyl)benzoic Acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 457.8±37.0 °C at 760 mmHg
Melting Point 230-238 °C
Molecular Formula C8H8O4S
Molecular Weight 200.212
Flash Point 230.7±26.5 °C
Exact Mass 200.014328
PSA 79.82000
LogP 0.58
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.560

 MSDS

Name: 3-Methylsulphonylbenzoic Acid 95+% Material Safety Data Sheet
Synonym: None Known
CAS: 5345-27-7
Section 1 - Chemical Product MSDS Name:3-Methylsulphonylbenzoic Acid 95+% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5345-27-7 3-Methylsulphonylbenzoic Acid 95+% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 5345-27-7: 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 minimize contact with skin.
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: 230 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H8O4S
Molecular Weight: 200.22

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5345-27-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Methylsulphonylbenzoic Acid - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 5345-27-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5345-27-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5345-27-7 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 41
Safety Phrases S24/25
HS Code 2916399090

 Synthetic Route

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3-Methylsulfonyl benzoic acid Structure

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CAS#:5345-27-7

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CAS#:5345-27-7

Literature: Journal of the Chemical Society, , vol. 119, p. 1796

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3-Methylsulfonyl benzoic acid Structure

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CAS#:5345-27-7

Literature: Journal of the Chemical Society, , vol. 119, p. 1796

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3-Methylsulfonyl benzoic acid Structure

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CAS#:5345-27-7

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 71, p. 295,299 Recueil des Travaux Chimiques des Pays-Bas, , vol. 72, p. 185,194

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CAS#:5345-27-7

Literature: Journal of the Chemical Society, , p. 193

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3-Methylsulfonyl benzoic acid Structure

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CAS#:5345-27-7

Literature: Journal of the American Chemical Society, , vol. 74, p. 1943,1944

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3-Methylsulfonyl benzoic acid Structure

3-Methylsulfony...

CAS#:5345-27-7

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 71, p. 295,299 Recueil des Travaux Chimiques des Pays-Bas, , vol. 72, p. 185,194 Journal of the American Chemical Society, , vol. 74, p. 1058 Journal of the American Chemical Society, , vol. 79, p. 916

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3-Methylsulfonyl benzoic acid Structure

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CAS#:5345-27-7

Literature: Collection of Czechoslovak Chemical Communications, , vol. 33, p. 3988 - 3999

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-Methylsulfonyl benzoic acid
3-Methylsulfonylbenzoic acid
3-(Methylsulfonyl)benzoic acid
MFCD00216488
3-Methylsulphonylbenzoic acid
Benzoic acid, 3-(methylsulfonyl)-