4-(Trifluoromethoxy)thiophenol

Modify Date: 2024-01-10 11:59:19

4-(Trifluoromethoxy)thiophenol Structure
4-(Trifluoromethoxy)thiophenol structure
Common Name 4-(Trifluoromethoxy)thiophenol
CAS Number 169685-29-4 Molecular Weight 194.174
Density 1.4±0.1 g/cm3 Boiling Point 182.3±35.0 °C at 760 mmHg
Molecular Formula C7H5F3OS Melting Point N/A
MSDS N/A Flash Point 64.0±25.9 °C

 Names

Name 4-(trifluoromethoxy)thiophenol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 182.3±35.0 °C at 760 mmHg
Molecular Formula C7H5F3OS
Molecular Weight 194.174
Flash Point 64.0±25.9 °C
Exact Mass 194.001312
PSA 48.03000
LogP 3.50
Vapour Pressure 1.1±0.3 mmHg at 25°C
Index of Refraction 1.495
Storage condition Keep Cold

 MSDS

Name: 4-(Trifluoromethoxy)benzene-1-thiol tech Material Safety Data Sheet
Synonym:
CAS: 169685-29-4
Section 1 - Chemical Product MSDS Name:4-(Trifluoromethoxy)benzene-1-thiol tech Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
169685-29-4 4-(Trifluoromethoxy)benzene-1-thiol unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.Moisture sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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:

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 foam, dry chemical, or carbon dioxide.

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.
Store under nitrogen.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 169685-29-4: 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: Not available.
Odor: stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 64 - 66 deg C @15mmHg
Freezing/Melting Point: Not available.
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: C7H5F3OS
Molecular Weight: 194

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 169685-29-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(Trifluoromethoxy)benzene-1-thiol - 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: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 169685-29-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 169685-29-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 169685-29-4 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:Harmful;
Risk Phrases R20/21/22
Safety Phrases S36/37
RIDADR UN 2810
Packaging Group III
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

~47%

4-(Trifluoromethoxy)thiophenol Structure

4-(Trifluoromet...

CAS#:169685-29-4

Literature: Mitsubishi Chemical Corporation Patent: US5840716 A1, 1998 ;

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4-(Trifluoromethoxy)thiophenol Structure

4-(Trifluoromet...

CAS#:169685-29-4

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 14 p. 4155 - 4159

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

Benzenethiol, 4-(trifluoromethoxy)-
4-(Trifluoromethoxy)thiophenol
MFCD00052312
4-(Trifluoromethoxy)benzenethiol
SHR DOXFFF
4-(Trifluoromethoxy)benzene-1-thiol
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