1692-79-1

1692-79-1结构式

常用中文名：1-[2-硝基-4-(三氟甲基)苯基]哌啶
常用英文名：1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine
CAS号：1692-79-1
分子式：C₁₂H₁₃F₃N₂O₂
分子量：274.23900
发布时间：2018-12-25 18:17:42
更新时间：2024-01-19 19:50:13

化源商城直购

中文名	1-[2-硝基-4-(三氟甲基)苯基]哌啶
英文名	1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine
英文别名	1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine

密度	1.324g/cm3
沸点	342.8ºC at 760mmHg
熔点	48-50ºC
分子式	C₁₂H₁₃F₃N₂O₂
分子量	274.23900
闪点	161.1ºC
精确质量	274.09300
PSA	49.06000
LogP	4.19210
蒸汽压	7.34E-05mmHg at 25°C
折射率	1.516
分子结构	1、摩尔折射率：62.59 2、摩尔体积（m³/mol）：207.0 3、等张比容（90.2K）：519.8 4、表面张力（dyne/cm）：39.7 5、介电常数（F/m）：无可用 6、极化率（10 ^-24cm ³）：24.81
计算化学	1.疏水参数计算参考值（XlogP）:3.6 2.氢键供体数量:0 3.氢键受体数量:6 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积49.1 7.重原子数量:19 8.表面电荷:0 9.复杂度:324 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1
更多	1. 性状：未确定。 2. 密度（g/mL,25/4℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：48-50 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：未确定 8. 闪点（ºC）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,25ºC）：未确定 12. 饱和蒸气压（kPa,60ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：未确定

Name:	1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine 97% Material Safety Data Sheet
Synonym:
CAS:	1692-79-1

Section 1 - Chemical Product MSDS Name:1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1692-79-1	1-[2-Nitro-4-(trifluoromethyl)phenyl]p	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.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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# 1692-79-1: 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: Crystals
Color: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 48 - 50 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: C12H13F3N2O2
Molecular Weight: 274

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, carbon dioxide, acrid smoke and fumes, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1692-79-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1692-79-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1692-79-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1692-79-1 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)	R36/37/38
安全声明 (欧洲)	S26-S37/39

110-89-4

367-86-2

~99%

1692-79-1

文献：HAGIWARA, Masatoshi Patent: EP1712242 A1, 2006 ; Location in patent: Page/Page column 18; 30 ;

110-89-4

121-17-5

~99%

1692-79-1

文献：HAGIWARA, Masatoshi Patent: EP1712242 A1, 2006 ; Location in patent: Page/Page column 18; 31 ;

121-17-5

1692-79-1

文献：Journal of the Chemical Society [Section] B: Physical Organic, , p. 1595 - 1600

110-89-4

1960-59-4

1692-79-1

文献：European Journal of Organic Chemistry, , # 8 p. 1378 - 1383

上游产品 4
110-89-4 367-86-2 121-17-5 1960-59-4
下游产品 1
1496-40-8

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