4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl chloride

Modify Date: 2024-02-04 12:12:11

4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl chloride Structure
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl chloride structure
Common Name 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl chloride
CAS Number 477291-09-1 Molecular Weight 305.70300
Density 1.431g/cm3 Boiling Point 369.4ºC at 760 mmHg
Molecular Formula C12H7ClF3NOS Melting Point N/A
MSDS N/A Flash Point 177.2ºC

 Names

Name 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl chloride

 Chemical & Physical Properties

Density 1.431g/cm3
Boiling Point 369.4ºC at 760 mmHg
Molecular Formula C12H7ClF3NOS
Molecular Weight 305.70300
Flash Point 177.2ºC
Exact Mass 304.98900
PSA 58.20000
LogP 4.51630
Index of Refraction 1.543

 MSDS

Name: 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl Material Safety Data Sheet
Synonym:
CAS: 477291-09-1
Section 1 - Chemical Product MSDS Name: 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
477291-09-1 4-Methyl-2-[4-(trifluoromethyl)phenyl] 97+% unlisted
+++++
Hazard Symbols: C
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Reacts violently with water. Contact with water liberates toxic gas. Causes severe burns. Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.
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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 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. Vacuum or sweep up material and place into a suitable disposal container. Wear a self contained breathing apparatus and appropriate personal protection. (See Exposure Controls, Personal Protection section). Do not expose spill to water.
SECTION 7 - HANDLING and STORAGE
Handling:
Do not allow water to get into the container because of violent reaction. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not allow contact with water. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Water free area. Store protected from moisture.
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# 477291-09-1: 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: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 72 - 74 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: C12H7ClF3NOS
Molecular Weight: 305.71
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Air sensitive. Moisture sensitive. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids (mineral, non-oxidizing, e.g. hydrochloric acid, hydrofluoric acid, muriatic acid, phosphoric acid), acids (mineral, oxidizing, e.g. chromic acid, hypochlorous acid, nitric acid, sulfuric acid), acids (organic, e.g. acetic acid, benzoic acid, formic acid, methanoic acid, oxalic acid), alcohols and glycols (e.g. butyl alcohol, ethanol, methanol, ethylene glycol), aldehydes (e.g. acetaldehyde, acrolein, chloral hydrate, formaldehyde), amides, amines (aliphatic and aromatic, e.g. dimethyl amine, propylamine, pyridine, triethylamine), azo, diazo, and hydrazines (e.g. dimethyl hydrazine, hydrazine, methyl hydrazine), carbamates (e.g. carbanolate, carbofuran), caustics (e.g. ammonia, ammonium hydroxide, calcium hydroxide, potassium hydroxide, sodium hydroxide), cyanides (e.g. potassium cyanide, sodium cyanide), dithiocarbamates (e.g. ferbam, maneb, metham, thiram), esters (e.g. butyl acetate, ethyl acetate, propyl formate), ethers (e.g. dioxane, furfuran, tetrah.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, sulfur dioxide, carbon monoxide, carbon dioxide, carbonyl fluoride, fluorine.
Hazardous Polymerization: Not available.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 477291-09-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl chloride - 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: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: II IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: II RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: II
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 14 Reacts violently with water. R 29 Contact with water liberates toxic gas. R 35 Causes severe burns.
Safety Phrases:
S 22 Do not breathe dust. S 24 Avoid contact with skin. 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# 477291-09-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 477291-09-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 477291-09-1 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 10/08/2004 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

 Synthetic Route

~%

4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl chloride Structure

4-methyl-2-[4-(...

CAS#:477291-09-1

Literature: Sierra, Michael L.; Beneton, Veronique; Boullay, Anne-Benedict; Boyer, Thierry; Brewster, Andrew G.; Donche, Frederic; Forest, Marie-Claire; Fouchet, Marie-Helene; Gellibert, Francoise J.; Grillot, Didier A.; Lambert, Millard H.; Laroze, Alain; Le Grumelec, Christelle; Linget, Jean Michel; Montana, Valerie G.; Nguyen, Van-Loc; Nicodeme, Edwige; Patel, Vipul; Penfornis, Annie; Pineau, Olivier; Pohin, Danig; Potvain, Florent; Poulain, Geraldine; Ruault, Cecile Bertho; Saunders, Michael; Toum, Jerome; Xu, H. Eric; Xu, Robert X.; Pianetti, Pascal M. Journal of Medicinal Chemistry, 2007 , vol. 50, # 4 p. 685 - 695

~%

4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl chloride Structure

4-methyl-2-[4-(...

CAS#:477291-09-1

Literature: Sierra, Michael L.; Beneton, Veronique; Boullay, Anne-Benedict; Boyer, Thierry; Brewster, Andrew G.; Donche, Frederic; Forest, Marie-Claire; Fouchet, Marie-Helene; Gellibert, Francoise J.; Grillot, Didier A.; Lambert, Millard H.; Laroze, Alain; Le Grumelec, Christelle; Linget, Jean Michel; Montana, Valerie G.; Nguyen, Van-Loc; Nicodeme, Edwige; Patel, Vipul; Penfornis, Annie; Pineau, Olivier; Pohin, Danig; Potvain, Florent; Poulain, Geraldine; Ruault, Cecile Bertho; Saunders, Michael; Toum, Jerome; Xu, H. Eric; Xu, Robert X.; Pianetti, Pascal M. Journal of Medicinal Chemistry, 2007 , vol. 50, # 4 p. 685 - 695

~%

4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl chloride Structure

4-methyl-2-[4-(...

CAS#:477291-09-1

Literature: Sierra, Michael L.; Beneton, Veronique; Boullay, Anne-Benedict; Boyer, Thierry; Brewster, Andrew G.; Donche, Frederic; Forest, Marie-Claire; Fouchet, Marie-Helene; Gellibert, Francoise J.; Grillot, Didier A.; Lambert, Millard H.; Laroze, Alain; Le Grumelec, Christelle; Linget, Jean Michel; Montana, Valerie G.; Nguyen, Van-Loc; Nicodeme, Edwige; Patel, Vipul; Penfornis, Annie; Pineau, Olivier; Pohin, Danig; Potvain, Florent; Poulain, Geraldine; Ruault, Cecile Bertho; Saunders, Michael; Toum, Jerome; Xu, H. Eric; Xu, Robert X.; Pianetti, Pascal M. Journal of Medicinal Chemistry, 2007 , vol. 50, # 4 p. 685 - 695
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