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317318-96-0

317318-96-0 structure
317318-96-0 structure

Name [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
Synonyms [4-methyl-2-(4-trifluoromethyl-phenyl)thiazole-5-yl]-methanol
{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methan-1-ol
(4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methanol
[4-Methyl-2-(4-(trifluoromethyl)phenyl)-1,3-thiazol-5-yl]methanol
{4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanol
Density 1.359g/cm3
Boiling Point 380ºC at 760 mmHg
Melting Point 120-123ºC
Molecular Formula C12H10F3NOS
Molecular Weight 273.27400
Flash Point 183.6ºC
Exact Mass 273.04400
PSA 61.36000
LogP 3.62960
Index of Refraction 1.545
Name: {4-Methyl-2-[4-(trifluoromethyl)pheny]-1 3-thiazol-5-yl}methanol Material Safety Data Sheet
Synonym: None Known
CAS: 317318-96-0
Section 1 - Chemical Product MSDS Name:{4-Methyl-2-[4-(trifluoromethyl)pheny]-1 3-thiazol-5-yl}methanol Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
317318-96-0 {4-Methyl-2-[4-(trifluoromethyl)pheny] 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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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:
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.
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 appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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# 317318-96-0: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 119.2-121.6 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: C12H10F3NOS
Molecular Weight: 273.28

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Acid chlorides, bases, oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 317318-96-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
{4-Methyl-2-[4-(trifluoromethyl)pheny]-1,3-thiazol-5-yl}methanol - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 317318-96-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 317318-96-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 317318-96-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
HS Code 2934100090

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Literature: KALYPSYS, INC. Patent: WO2005/60958 A1, 2005 ; Location in patent: Page/Page column 115-116 ; WO 2005/060958 A1

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Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2004/785 A2, 2003 ; Location in patent: Page 43 ; WO 2004/000785 A2

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Literature: EP1586573 A1, ; Page/Page column 15 ;

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317318-96-0

Literature: WO2005/51945 A1, ; Page/Page column 88 ; WO 2005/051945 A1

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317318-96-0

Literature: Pereira, Raquel; Gaudon, Claudine; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; De Lera, Angel R. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 1 p. 49 - 54

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Literature: Journal of Medicinal Chemistry, , vol. 50, # 4 p. 685 - 695

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317318-96-0

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 1 p. 49 - 54

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317318-96-0 structure

317318-96-0

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 1 p. 49 - 54

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317318-96-0 structure

317318-96-0

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 1 p. 49 - 54
HS Code 2934100090
Summary 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%