Methyl 2-chloro-4-fluorobenzoate

Modify Date: 2024-01-03 22:02:52

Methyl 2-chloro-4-fluorobenzoate Structure
Methyl 2-chloro-4-fluorobenzoate structure
Common Name Methyl 2-chloro-4-fluorobenzoate
CAS Number 85953-29-3 Molecular Weight 188.583
Density 1.3±0.1 g/cm3 Boiling Point 224.3±20.0 °C at 760 mmHg
Molecular Formula C8H6ClFO2 Melting Point 103-105ºC
MSDS N/A Flash Point 93.5±10.9 °C

 Names

Name Methyl 2-Chloro-4-fluorobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 224.3±20.0 °C at 760 mmHg
Melting Point 103-105ºC
Molecular Formula C8H6ClFO2
Molecular Weight 188.583
Flash Point 93.5±10.9 °C
Exact Mass 188.004028
PSA 26.30000
LogP 2.12
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.510
Storage condition Room temperature.

 MSDS

Name: Methyl 2-chloro-4-fluorobenzoate 97% Material Safety Data Sheet
Synonym:
CAS: 85953-29-3
Section 1 - Chemical Product MSDS Name:Methyl 2-chloro-4-fluorobenzoate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
85953-29-3 Methyl 2-chloro-4-fluorobenzoate 97% unlisted
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 85953-29-3: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 103 - 105 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: C8H6ClFO2
Molecular Weight: 189

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 85953-29-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-chloro-4-fluorobenzoate - 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# 85953-29-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 85953-29-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 85953-29-3 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
RIDADR 1993

 Synthetic Route

~97%

Methyl 2-chloro-4-fluorobenzoate Structure

Methyl 2-chloro...

CAS#:85953-29-3

Literature: VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2004/46120 A2, 2004 ; Location in patent: Page 175; 176 ; WO 2004/046120 A2

~%

Methyl 2-chloro-4-fluorobenzoate Structure

Methyl 2-chloro...

CAS#:85953-29-3

Literature: US4670046 A1, ;

~97%

Methyl 2-chloro-4-fluorobenzoate Structure

Methyl 2-chloro...

CAS#:85953-29-3

Literature: LaBeaume, Paul; Placzek, Michael; Daniels, Mathew; Kendrick, Ian; Ng, Patrick; McNeel, Melissa; Afroze, Roushan; Alexander, Abigail; Thomas, Rhiannon; Kallmerten, Amy E.; Jones, Graham B. Tetrahedron Letters, 2010 , vol. 51, # 14 p. 1906 - 1909

 Synonyms

GR CF FVO1
2-Chloro-4-fluorobenzoic acid methyl ester
MFCD00173937
Benzoic acid, 2-chloro-4-fluoro-, methyl ester
Methyl 2-chloro-4-fluorobenzoate
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