5-ACETAMIDO-2-BROMOBENZOIC ACID

Modify Date: 2024-01-17 19:36:00

5-ACETAMIDO-2-BROMOBENZOIC ACID Structure
5-ACETAMIDO-2-BROMOBENZOIC ACID structure
Common Name 5-ACETAMIDO-2-BROMOBENZOIC ACID
CAS Number 22921-67-1 Molecular Weight 257.061
Density 1.706 g/cm3 Boiling Point 466.0±40.0 °C at 760 mmHg
Molecular Formula C9H7BrNO3 Melting Point 186ºC
MSDS USA Flash Point 235.6±27.3 °C

 Names

Name 5-acetamido-2-bromobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.706 g/cm3
Boiling Point 466.0±40.0 °C at 760 mmHg
Melting Point 186ºC
Molecular Formula C9H7BrNO3
Molecular Weight 257.061
Flash Point 235.6±27.3 °C
Exact Mass 255.961472
PSA 66.40000
LogP 2.01
Vapour Pressure 0.0±1.2 mmHg at 25°C

 MSDS

Name: 5-Acetamido-2-Bromobenzoic Acid Material Safety Data Sheet
Synonym: None Known
CAS: 22921-67-1
Section 1 - Chemical Product MSDS Name:5-Acetamido-2-Bromobenzoic Acid Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
22921-67-1 5-Acetamido-2-Bromobenzoic Acid ca. 100 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. Wash mouth out with 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:
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. 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 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. 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. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 22921-67-1: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 186 - 188 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: C9H8BrNO3
Molecular Weight: 258.07

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 22921-67-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Acetamido-2-Bromobenzoic 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
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# 22921-67-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22921-67-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22921-67-1 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
Risk Phrases R36/37/38
Safety Phrases S26-S36

 Synthetic Route

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5-ACETAMIDO-2-BROMOBENZOIC ACID Structure

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CAS#:22921-67-1

Literature: Santen Pharmaceutical Co., Ltd.; Kudou, Kazuhiro; Yamamoto, Noriyoshi; Ban, Masakazu; Ohno, Atsushi Patent: US2013/310576 A1, 2013 ; Location in patent: Paragraph 0155 ;

~98%

5-ACETAMIDO-2-BROMOBENZOIC ACID Structure

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CAS#:22921-67-1

Literature: Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US6506769 B2, 2003 ; US 6506769 B2

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5-ACETAMIDO-2-BROMOBENZOIC ACID Structure

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CAS#:22921-67-1

Literature: Chemische Berichte, , vol. 57, p. 2086

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5-ACETAMIDO-2-BROMOBENZOIC ACID Structure

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CAS#:22921-67-1

Literature: Helvetica Chimica Acta, , vol. 27, p. 888,889

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5-ACETAMIDO-2-BROMOBENZOIC ACID Structure

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CAS#:22921-67-1

Literature: Chemische Berichte, , vol. 57, p. 2086

~%

5-ACETAMIDO-2-BROMOBENZOIC ACID Structure

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CAS#:22921-67-1

Literature: Chemische Berichte, , vol. 57, p. 2086

~%

5-ACETAMIDO-2-BROMOBENZOIC ACID Structure

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CAS#:22921-67-1

Literature: Chemische Berichte, , vol. 57, p. 2086

 Synonyms

5-Acetamido-2-bromobenzoate
Benzoic acid, 5-(acetylamino)-2-bromo-, ion(1-)
5-acetamide-2-bromobenzoic acid
MFCD00040902
6-Brom-3-acetamino-benzoesaeure
5-acetylamino-2-bromo-benzoic acid
5-Acetamido-2-bromobenzoic acid hydrate
5-Acetylamino-2-brom-benzoesaeure
5-Acetamido-2-bromobenzoic acid hydrat
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