4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE

Modify Date: 2024-01-12 18:11:37

4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE Structure
4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE structure
Common Name 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE
CAS Number 15908-64-2 Molecular Weight 243.28400
Density 1.3g/cm3 Boiling Point N/A
Molecular Formula C12H9N3OS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-methylsulfanyl-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3g/cm3
Molecular Formula C12H9N3OS
Molecular Weight 243.28400
Exact Mass 243.04700
PSA 94.84000
LogP 2.03048
Index of Refraction 1.667

 MSDS

Name: 4-(Methylthio)-6-oxo-2-phenyl-1 6-dihydropyrimidine-5-carbonitrile Material Safety Data Sheet
Synonym:
CAS: 15908-64-2
Section 1 - Chemical Product MSDS Name:4-(Methylthio)-6-oxo-2-phenyl-1 6-dihydropyrimidine-5-carbonitrile Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
15908-64-2 4-(Methylthio)-6-oxo-2-phenyl-1,6-dihy 97+% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes 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:
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 water spray, dry chemical, carbon dioxide, or chemical foam.

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.

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.

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# 15908-64-2: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 312 - 314 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: C12H9N3OS
Molecular Weight: 243.29

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 15908-64-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(Methylthio)-6-oxo-2-phenyl-1,6-dihydropyrimidine-5-carbonitrile - 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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
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.
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# 15908-64-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15908-64-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15908-64-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

HS Code 2933599090

 Synthetic Route

~94%

4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE Structure

4-(METHYLTHIO)-...

CAS#:15908-64-2

Literature: Goto, Taiji; Shiina, Akiko; Yoshino, Toshiharu; Mizukami, Kiyoshi; Hirahara, Kazuki; Suzuki, Osamu; Sogawa, Yoshitaka; Takahashi, Tomoko; Mikkaichi, Tsuyoshi; Nakao, Naoki; Takahashi, Mizuki; Hasegawa, Masashi; Sasaki, Shigeki Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 22 p. 7025 - 7037

~89%

4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE Structure

4-(METHYLTHIO)-...

CAS#:15908-64-2

Literature: Kohra, Shinya; Tominaga, Yoshinori; Hosomi, Akira Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 959 - 968

~57%

4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE Structure

4-(METHYLTHIO)-...

CAS#:15908-64-2

Literature: Kohra, Shinya; Tominaga, Yoshinori; Matsuda, Yoshiro; Kobayashi, Goro Heterocycles, 1983 , vol. 20, # 9 p. 1745 - 1750

~%

4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE Structure

4-(METHYLTHIO)-...

CAS#:15908-64-2

Literature: Agarwal, Nidhi; Raghuwanshi, Sandeep K.; Upadhyay; Shukla; Ram, Vishnu J. Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 8 p. 703 - 706

~45%

4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE Structure

4-(METHYLTHIO)-...

CAS#:15908-64-2

Literature: Richter, Monika; Vogt, Almut; Augustin, Manfred; Strauss, Karin Zeitschrift fuer Chemie (Stuttgart, Germany), 1989 , vol. 29, # 12 p. 443 - 444

~%

4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE Structure

4-(METHYLTHIO)-...

CAS#:15908-64-2

Literature: Lorente, Antonio; Garcia, M. Luisa; Fernandez, Misericordia; Soto, Jose L. Heterocycles, 1992 , vol. 34, # 8 p. 1573 - 1582

 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

5-cyano-6-methylthio-2-phenyl-4(3H)pyrimidone
4-(methylthio)-6-oxo-2-phenyl-1,6-dihydropyrimidine-5-carbonitrile
HMS546N10
3,4-dihydro-6-methylthio-4-oxo-2-phenylpyrimidine-5-carbonitrile
5-cyano-6-methylthio-4-oxo-2-phenyl-3,4-dihydropyrimidine
5-pyrimidinecarbonitrile,1,6-dihydro-4-(methylthio)-6-oxo-2-phenyl
3,4-dihydro-6-methymercapto-4-oxo-2-phenylpyrimidine-5-carbonitrile
3,4-dihydro-6-methylthio-2-phenyl-4-oxopyrimidine-5-carbonitrile