4-[双(4-氟苯基)亚甲基]哌啶氢溴酸

4-[双(4-氟苯基)亚甲基]哌啶氢溴酸 基本信息
CAS号 111627-29-3 分子式 C18H18BrF2N
分子量 366.24300 精确质量  365.05900
PSA  12.03000 LogP  5.43700

基本信息 展开↓

CAS号:
111627-29-3
3D弹球模型:
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分子式:
C18H18BrF2N
分子量:
366.24300
中文名称:
4-[双(4-氟苯基)亚甲基]哌啶氢溴酸
英文名称:
4-[bis(4-fluorophenyl)methylidene]piperidine,hydrobromide
中文别名:
4-[双(4-氟苯基)亚甲基]哌啶氢溴酸
英文别名:
4-[bis(4-fluorophenyl)methylidene]piperidine,hydrobromide;
4-[Bis(4-Fluorophenyl)methylene]piperidine hydrobromide
精确分子量/精确质量:
365.05900
极性分子表面积/PSA:
12.03000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: QYGTZLORLCADEX-UHFFFAOYSA-N

物化性质展开↓

沸点:
435.9ºC at 760 mmHg
闪点:
217.4ºC
蒸汽压:
3.99E-08mmHg at 25°C

安全信息展开↓

海关代码:
2933399090

合成路线查看所有的合成路线

  • 111627-27-1

    α,α-bis(4-fluorophenyl)-1-(phenylsulfonyl)-4-piperidinemethanol

  • 111627-29-3

    4-[双(4-氟苯基)亚甲基]哌啶氢溴酸

  • 111627-26-0

    1-(phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester

  • 111627-29-3

    4-[双(4-氟苯基)亚甲基]哌啶氢溴酸

  • 1126-09-6

    4-哌啶甲酸乙酯

  • 111627-29-3

    4-[双(4-氟苯基)亚甲基]哌啶氢溴酸

MSDS 展开↓

Name: 4-[Bis(4-fluorophenyl)methylene]piperidinehydrobromide Material Safety Data Sheet
Synonym:
CAS: 111627-29-3
Section 1 - Chemical Product   MSDS Name:4-[Bis(4-fluorophenyl)methylene]piperidinehydrobromide Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
111627-29-3 4-[Bis(4-fluorophenyl)methylene]piperi 100 unlisted
Hazard Symbols: T
Risk Phrases: 25

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

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 immediately.
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:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

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 agent most appropriate to extinguish fire. 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:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Do not ingest or inhale. 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# 111627-29-3: 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: Not available.
Odor: None reported.
pH: 5.8
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 223 deg C
Autoignition Temperature: 540 deg C ( 1,004.00 deg F)
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 5.9 g/l (20 C)
Specific Gravity/Density:
Molecular Formula: C18 H17 F2 N . H Br
Molecular Weight:

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, hydrogen bromide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 111627-29-3 unlisted.
LD50/LC50:
Not available.
Oral, rat: LD50 = 178 Carcinogenicity:
4-[Bis(4-fluorophenyl)methylene]piperidinehydrobromide - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
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: T
Risk Phrases:
R 25 Toxic if swallowed.
Safety Phrases:
S 22 Do not breathe dust.
S 27 Take off immediately all contaminated clothing.
S 28A After contact with skin, wash immediately with
plenty of water.
S 28B After contact with skin, wash immediately with
plenty of water and soap.
S 37 Wear suitable gloves.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 111627-29-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 111627-29-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 111627-29-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933399090

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
摘要/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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  • 111627-27-1

    α,α-bis(4-fluorophenyl)-1-(phenylsulfonyl)-4-piperidinemethanol

  • 108-95-2

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  • 1126-09-6

    4-哌啶甲酸乙酯

  • 111627-26-0

    1-(phenylsulfonyl)-4-piperidinecarboxylic acid ethyl ester

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