3-chlorosulfonylbenzoic acid

Modify Date: 2024-01-10 09:56:52

3-chlorosulfonylbenzoic acid Structure
3-chlorosulfonylbenzoic acid structure
Common Name 3-chlorosulfonylbenzoic acid
CAS Number 4025-64-3 Molecular Weight 220.630
Density 1.6±0.1 g/cm3 Boiling Point 402.5±28.0 °C at 760 mmHg
Molecular Formula C7H5ClO4S Melting Point 128-130 °C(lit.)
MSDS Chinese USA Flash Point 197.2±24.0 °C
Symbol GHS05
GHS05
Signal Word Danger

 Names

Name 3-(Chlorosulfonyl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 402.5±28.0 °C at 760 mmHg
Melting Point 128-130 °C(lit.)
Molecular Formula C7H5ClO4S
Molecular Weight 220.630
Flash Point 197.2±24.0 °C
Exact Mass 219.959702
PSA 79.82000
LogP 2.06
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.588

 MSDS

Name: 3-(Chlorosulfonyl)benzoic acid 98% (titr.) Material Safety Data Sheet
Synonym:
CAS: 4025-64-3
Section 1 - Chemical Product MSDS Name:3-(Chlorosulfonyl)benzoic acid 98% (titr.) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4025-64-3 3-(Chlorosulfonyl)benzoic acid 98 223-692-8
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.The toxicological properties of this material have not been fully investigated.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes chemical burns to the respiratory tract. 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 immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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. Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Discard contaminated shoes.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4025-64-3: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 137 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: decomposes
Specific Gravity/Density:
Molecular Formula: C7H5ClO4S
Molecular Weight: 220.63

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, strong oxidants.
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# 4025-64-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(Chlorosulfonyl)benzoic 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: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 4025-64-3: No information available.
Canada
CAS# 4025-64-3 is listed on Canada's NDSL List.
CAS# 4025-64-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4025-64-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS05
GHS05
Signal Word Danger
Hazard Statements H314
Precautionary Statements P280-P305 + P351 + P338-P310
Personal Protective Equipment Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes C:Corrosive;
Risk Phrases R22;R29;R34
Safety Phrases S26-S27-S36/37/39-S45
RIDADR UN 3261 8/PG 2
WGK Germany 3
Packaging Group II
Hazard Class 8
HS Code 2916399090

 Synthetic Route

~86%

3-chlorosulfonylbenzoic acid Structure

3-chlorosulfony...

CAS#:4025-64-3

Literature: Thurber, T. Craig; Prince, Anthony; Halpern, Otto Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 961 - 965

~87%

3-chlorosulfonylbenzoic acid Structure

3-chlorosulfony...

CAS#:4025-64-3

Literature: Khanfar, Mohammad A.; Quinti, Luisa; Wang, Hua; Choi, Soo Hyuk; Kazantsev, Aleksey G.; Silverman, Richard B. European Journal of Medicinal Chemistry, 2014 , vol. 76, p. 414 - 426

~%

3-chlorosulfonylbenzoic acid Structure

3-chlorosulfony...

CAS#:4025-64-3

Literature: Gen.Aniline and Film Corp. Patent: US2273974 , 1939 ;

~%

3-chlorosulfonylbenzoic acid Structure

3-chlorosulfony...

CAS#:4025-64-3

Literature: Limpricht; v.Uslar Justus Liebigs Annalen der Chemie, 1858 , vol. 106, p. 30 Full Text Show Details Wegscheider; Furcht Monatshefte fuer Chemie, 1902 , vol. 23, p. 1126,1128

~%

3-chlorosulfonylbenzoic acid Structure

3-chlorosulfony...

CAS#:4025-64-3

Literature: Meerwein et al. Chemische Berichte, 1957 , vol. 90, p. 841,843

~%

3-chlorosulfonylbenzoic acid Structure

3-chlorosulfony...

CAS#:4025-64-3

Literature: Gen. Aniline and Film Corp. Patent: US2273974 , 1939 ; Full Text Show Details Delfs in K. Ziegler Praeparative Organische Chemie, Tl. I (= Naturf. Med. Dtschld. 1939-1946, Bd. 36) S. 254

~%

3-chlorosulfonylbenzoic acid Structure

3-chlorosulfony...

CAS#:4025-64-3

Literature: Gen. Aniline and Film Corp. Patent: US2273974 , 1939 ; Full Text Show Details Delfs in K. Ziegler Praeparative Organische Chemie, Tl. I (= Naturf. Med. Dtschld. 1939-1946, Bd. 36) S. 254

 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%

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 Synonyms

Benzoic acid, 3-(chlorosulfonyl)-
3-(Chlorosulfonyl)benzoic acid
MFCD00024877
EINECS 223-692-8
3-chlorosulfonylbenzoic acid
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