3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid

Modify Date: 2024-01-02 16:53:24

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Structure
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid structure
Common Name 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid
CAS Number 3919-74-2 Molecular Weight 255.63000
Density 1.388g/cm3 Boiling Point 314.6ºC at 760 mmHg
Molecular Formula C11H7ClFNO3 Melting Point 202 °C
MSDS N/A Flash Point 144.1ºC

 Names

Name 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.388g/cm3
Boiling Point 314.6ºC at 760 mmHg
Melting Point 202 °C
Molecular Formula C11H7ClFNO3
Molecular Weight 255.63000
Flash Point 144.1ºC
Exact Mass 255.01000
PSA 63.33000
LogP 3.14070
Index of Refraction 1.533

 MSDS

Name: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS: 3919-74-2
Section 1 - Chemical Product MSDS Name:3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3919-74-2 3-(2-Chloro-6-fluorophenyl)-5-methylis 97% 223-486-8
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. 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.
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:
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# 3919-74-2: 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: off-white to tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 202 - 204 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: C11H7ClFNO3
Molecular Weight: 256

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3919-74-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 3919-74-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3919-74-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3919-74-2 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 R36/37/38
Safety Phrases S26-S36/37/39-S37/39-S36
HS Code 2934999090

 Synthetic Route

~88%

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Structure

3-(2-Chloro-6-f...

CAS#:3919-74-2

Literature: Sedelmeier, Joerg; Ley, Steven V.; Baxendale, Ian R.; Baumann, Marcus Organic Letters, 2010 , vol. 12, # 16 p. 3618 - 3621

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3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Structure

3-(2-Chloro-6-f...

CAS#:3919-74-2

Literature: VARDHMAN CHEMTECH LIMITED; GUJRAL, Rajinder Singh; JAIN, Suyog Patent: WO2012/164355 A1, 2012 ; Location in patent: Page/Page column 11 ;

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3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Structure

3-(2-Chloro-6-f...

CAS#:3919-74-2

Literature: Ramana, P. Venkata; Reddy, A. Ram Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 3 p. 621 - 627

~%

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Structure

3-(2-Chloro-6-f...

CAS#:3919-74-2

Literature: Ramana, P. Venkata; Reddy, A. Ram Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 3 p. 621 - 627

~%

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Structure

3-(2-Chloro-6-f...

CAS#:3919-74-2

Literature: Ramana, P. Venkata; Reddy, A. Ram Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 3 p. 621 - 627

~%

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Structure

3-(2-Chloro-6-f...

CAS#:3919-74-2

Literature: Ramana, P. Venkata; Reddy, A. Ram Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 3 p. 621 - 627

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Flucloxacillin impurity D
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylicacid
MFCD00055659
EINECS 223-486-8
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid