104960-49-8

104960-49-8 structure
104960-49-8 structure

Name 6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Density 1.43g/cm3
Boiling Point 316.9ºC at 760 mmHg
Melting Point 181ºC
Molecular Formula C13H7F3N2S
Molecular Weight 280.26800
Flash Point 145.5ºC
Exact Mass 280.02800
PSA 75.48000
LogP 3.92778
Vapour Pressure 0.000398mmHg at 25°C
Index of Refraction 1.607
Name: 2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile 97% Material Safety Data Sheet
Synonym: 2-Mercapto-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitril
CAS: 104960-49-8
Section 1 - Chemical Product MSDS Name:2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile 97% Material Safety Data Sheet
Synonym:2-Mercapto-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitril

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
104960-49-8 2-Mercapto-6-phenyl-4-(trifluoromethyl 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:
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# 104960-49-8: 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: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 181 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: C13H7F3N2S
Molecular Weight: 280

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 104960-49-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile - 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: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
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 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# 104960-49-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 104960-49-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 104960-49-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Hazard Codes Xi: Irritant;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2933399090

~84%

104960-49-8 structure

104960-49-8

Literature: Rodinovskaya, L. A.; Sharanin, Yu. A.; Litvinov, V. P.; Shestopalov, A. M.; Promonenkov, V. K.; et al. Journal of Organic Chemistry USSR (English Translation), 1985 , vol. 21, # 11 p. 2230 - 2235 Zhurnal Organicheskoi Khimii, 1985 , vol. 21, # 11 p. 2439 - 2444

~88%

104960-49-8 structure

104960-49-8

Literature: Rodinovskaya, L. A.; Sharanin, Yu. A.; Litvinov, V. P.; Shestopalov, A. M.; Promonenkov, V. K.; et al. Journal of Organic Chemistry USSR (English Translation), 1985 , vol. 21, # 11 p. 2230 - 2235 Zhurnal Organicheskoi Khimii, 1985 , vol. 21, # 11 p. 2439 - 2444

~%

104960-49-8 structure

104960-49-8

Literature: Guttsait, A. V.; Belyakov, S. V.; Mishnev, A. F.; Bleidelis, Ya. Ya.; Gudrinietse, E. Yu. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1987 , vol. 23, # 9 p. 986 - 989 Khimiya Geterotsiklicheskikh Soedinenii, 1987 , # 9 p. 1233 - 1237

~%

104960-49-8 structure

104960-49-8

Literature: Wang, Ning-Yu; Zuo, Wei-Qiong; Xu, Ying; Gao, Chao; Zeng, Xiu-Xiu; Zhang, Li-Dan; You, Xin-Yu; Peng, Cui-Ting; Shen, Yang; Yang, Sheng-Yong; Wei, Yu-Quan; Yu, Luo-Ting Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 6 p. 1581 - 1588
HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%