104960-49-8

104960-49-8结构式

常用中文名：2-疏基-6-苯基-4-三氟甲基烟腈
常用英文名：6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CAS号：104960-49-8
分子式：C₁₃H₇F₃N₂S
分子量：280.26800
发布时间：2018-11-26 18:19:30
更新时间：2024-02-01 12:28:59

中文名	2-疏基-6-苯基-4-三氟甲基烟腈
英文名	6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

密度	1.43g/cm3
沸点	316.9ºC at 760 mmHg
熔点	181ºC
分子式	C₁₃H₇F₃N₂S
分子量	280.26800
闪点	145.5ºC
精确质量	280.02800
PSA	75.48000
LogP	3.92778
蒸汽压	0.000398mmHg at 25°C
折射率	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

危害码 (欧洲)	Xi: Irritant;
风险声明 (欧洲)	R20/21/22;R36/37/38
安全声明 (欧洲)	S26-S36/37/39
海关编码	2933399090

7357-70-2

326-06-7

~84%

104960-49-8

文献：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

7357-70-2

82959-36-2

~88%

104960-49-8

3335-44-2

104960-49-8

文献：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

98-86-2

104960-49-8

文献：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

上游产品 5
7357-70-2 326-06-7 82959-36-2 3335-44-2
98-86-2
下游产品 3
104960-55-6 104960-56-7 3335-44-2

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
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%

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