2,3,6-trifluorophenol

Modify Date: 2024-01-02 16:16:06

2,3,6-trifluorophenol Structure
2,3,6-trifluorophenol structure
Common Name 2,3,6-trifluorophenol
CAS Number 113798-74-6 Molecular Weight 148.08300
Density 1.473g/cm3 Boiling Point 137ºC at 760mmHg
Molecular Formula C6H3F3O Melting Point 33-37 °C(lit.)
MSDS Chinese USA Flash Point 147 °F
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Danger

 Names

Name 2,3,6-trifluorophenol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.473g/cm3
Boiling Point 137ºC at 760mmHg
Melting Point 33-37 °C(lit.)
Molecular Formula C6H3F3O
Molecular Weight 148.08300
Flash Point 147 °F
Exact Mass 148.01400
PSA 20.23000
LogP 1.80950
Vapour Pressure 5.81mmHg at 25°C
Index of Refraction 1.471

 MSDS

Name: 2 3 6-Trifluorophenol 98% Material Safety Data Sheet
Synonym: None
CAS: 113798-74-6
Section 1 - Chemical Product MSDS Name:2 3 6-Trifluorophenol 98% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
113798-74-6 2,3,6-Trifluorophenol 98% 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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. May cause allergic respiratory reaction. May cause nausea, dizziness, and headache. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
Eyes: Immediately 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:
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 agent most appropriate to extinguish fire. 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:
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:
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 113798-74-6: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 33 - 37 deg C
Autoignition Temperature: Not available.
Flash Point: 63 deg C ( 145.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H3F3O
Molecular Weight: 148.09

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 113798-74-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3,6-Trifluorophenol - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 113798-74-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 113798-74-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 113798-74-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Danger
Hazard Statements H228-H302-H312-H315-H319-H332-H335
Precautionary Statements P210-P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn,Xi:Irritant;
Risk Phrases R20/21/22
Safety Phrases S26-S36/37/39
RIDADR UN 1325 4.1/PG 2
WGK Germany 3
Packaging Group III
Hazard Class 4.1
HS Code 2908199090

 Synthetic Route

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2,3,6-trifluorophenol Structure

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CAS#:113798-74-6

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2,3,6-trifluorophenol Structure

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CAS#:113798-74-6

Literature: Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , p. 691 - 696

 Customs

HS Code 2908199090
Summary HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

 Articles2

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19F NMR metabolomics for the elucidation of microbial degradation pathways of fluorophenols.

J. Ind. Microbiol. Biotechnol. 26(1-2) , 22-34, (2001)

Of all NMR-observable isotopes 19F is the one most convenient for studies on the biodegradation of environmental pollutants and especially for fast initial metabolic screening of newly isolated organi...

The site-selective functionalization of halogen-bearing phenols: an exercise in diversity-oriented organometallic synthesis. Marzi E and Schlosser M.

Tetrahedron 61(13) , 3393-3401, (2005)

 Synonyms

2,3,6-Trifluorophenol
2,3,4-TRI-O-BENZYL-Β-D-GLUCOPYRANOSIDURONIC ACID BENZYL ESTER,TRICHLOROACETIMIDATE
Phenol,2,3,6-trifluoro-(9CI)
2,3,6-trifluoro-phenol
MFCD00061214