Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate

Modify Date: 2024-01-03 19:28:51

Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate Structure
Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate structure
Common Name Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate
CAS Number 50593-91-4 Molecular Weight 263.112
Density 1.7±0.1 g/cm3 Boiling Point 348.7±22.0 °C at 760 mmHg
Molecular Formula C7H7BrN2O2S Melting Point 67ºC
MSDS N/A Flash Point 164.7±22.3 °C

 Names

Name Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 348.7±22.0 °C at 760 mmHg
Melting Point 67ºC
Molecular Formula C7H7BrN2O2S
Molecular Weight 263.112
Flash Point 164.7±22.3 °C
Exact Mass 261.941162
PSA 77.38000
LogP 2.69
Appearance of Characters Solid | Pale yellow
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.610
Storage condition 2-8°C
Water Solubility Slightly soluble in water (0.42 g/L).

 MSDS

Name: Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate Material Safety Data Sheet
Synonym: None Known
CAS: 50593-91-4
Section 1 - Chemical Product MSDS Name:Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
50593-91-4 Methyl 5-bromo-2-(methylsulfanyl)-4-py 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# 50593-91-4: 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: yellow
Odor: slight
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 67-70 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: C7H7BrN2O2S
Molecular Weight: 263.11

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.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 50593-91-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate - 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 22 Do not breathe dust.
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# 50593-91-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 50593-91-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 50593-91-4 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 Xi
Risk Phrases 43-36/37/38-20/21/22
Safety Phrases 36/37-36/37/39-26-22
HS Code 2933599090

 Synthetic Route

~80%

Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate Structure

Methyl 5-bromo-...

CAS#:50593-91-4

Literature: CANCER RESEARCH TECHNOLOGY LIMITED; HOELDER, Swen; BLAGG, Julian; SOLANKI, Savade; WOODWARD, Hannah; NAUD, Sebastian; BAVETSIAS, Vassilios; SHELDRAKE, Peter; INNOCENTI, Paolo; CHEUNG, Jack; ATRASH, Butrus Patent: WO2014/37750 A1, 2014 ; Location in patent: Paragraph 00149; 0046-0050 ;

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Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate Structure

Methyl 5-bromo-...

CAS#:50593-91-4

Literature: Pierre, Fabrice; O'Brien, Sean E.; Haddach, Mustapha; Bourbon, Pauline; Schwaebe, Michael K.; Stefan, Eric; Darjania, Levan; Stansfield, Ryan; Ho, Caroline; Siddiqui-Jain, Adam; Streiner, Nicole; Rice, William G.; Anderes, Kenna; Ryckman, David M. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 6 p. 1687 - 1691

 Customs

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

methyl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate
Methyl 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylate
Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate
Methyl 5-Bromo-2-(methylthio)-4-pyrimidinecarboxylate
4-Pyrimidinecarboxylic acid, 5-bromo-2-(methylthio)-, methyl ester
Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate
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