4-异硫氰四羟基-1(2H)-吡啶甲酸苄酯

4-异硫氰四羟基-1(2H)-吡啶甲酸苄酯 基本信息
CAS号 220394-91-2 分子式 C14H16N2O3
分子量 260.28800 精确质量  260.11600
PSA  58.97000 LogP  2.06130

基本信息 展开↓

CAS号:
220394-91-2
3D弹球模型:
立即前往扯扯看
分子式:
C14H16N2O3
分子量:
260.28800
中文名称:
4-异硫氰四羟基-1(2H)-吡啶甲酸苄酯
英文名称:
benzyl 4-isocyanatopiperidine-1-carboxylate
中文别名:
4-异硫氰四羟基-1(2H)-吡啶甲酸苄酯;
4-异硫氰四羟基-1(2H)-吡啶甲酸苄酯97%;
4-异氰酸基四氢-1(2H)-吡啶甲酸苄酯
英文别名:
benzyl 4-isocyanatopiperidine-1-carboxylate;
4-isocyanato-piperidine-1-carboxylic acid benzyl ester;
benzyl 4-isocyanatopiperidin-1-carboxylate;
phenylmethyl 4-isocyanatopiperidinecarboxylate;
4-isocyanato-Z-piperidine
精确分子量/精确质量:
260.11600
极性分子表面积/PSA:
58.97000
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:
InChI=1/C14H16N2O3/c17-11-15-13-6-8-16(9-7-13)14(18)19-10-12-4-2-1-3-5-12/h1-5,13H,6-10H2

物化性质展开↓

密度:
1.19g/cm3
沸点:
390ºC at 760mmHg
闪点:
189.7ºC
折射率:
1.576
蒸汽压:
2.73E-06mmHg at 25°C

安全信息展开↓

海关代码:
2933399090
危险类别码:
20/21/22-36/37/38
安全说明:
26-36/37/39

合成路线查看所有的合成路线

  • 10314-99-5

    4-氯羰酰四氢-吡啶羧酸苄酯

  • 220394-91-2

    4-异硫氰四羟基-1(2H)-吡啶甲酸苄酯

  • 501-53-1

    氯甲酸苄酯

  • 220394-91-2

    4-异硫氰四羟基-1(2H)-吡啶甲酸苄酯

  • 10314-98-4

    1-Cbz-4-哌啶甲酸

  • 220394-91-2

    4-异硫氰四羟基-1(2H)-吡啶甲酸苄酯

MSDS 展开↓

Name: Benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate 97% Material Safety Data Sheet
Synonym:
CAS: 220394-91-2
Section 1 - Chemical Product   MSDS Name:Benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
220394-91-2 Benzyl 4-isocyanatotetrahydro-1(2H)-py 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.Moisture sensitive.
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:

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 foam, dry chemical, or carbon dioxide.

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.

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.
Store under an inert atmosphere.

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# 220394-91-2: 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: Viscous liquid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 167 deg C @8mmHg
Freezing/Melting Point: Not available.
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: C14H16N2O3
Molecular Weight: 260

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, alcohols, amines.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 220394-91-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzyl 4-isocyanatotetrahydro-1(2H)-pyridinecarboxylate - 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: ISOCYANATE SOLUTION, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2206
Packing Group: III
IMO
Shipping Name: ISOCYANATE SOLUTION, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 2206
Packing Group: III
RID/ADR
Shipping Name: ISOCYANATE SOLUTION, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 2206
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# 220394-91-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 220394-91-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 220394-91-2 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%

上下游相关产品

上游产品

更多
  • 10314-98-4

    1-Cbz-4-哌啶甲酸

  • 501-53-1

    氯甲酸苄酯

  • 10314-99-5

    4-氯羰酰四氢-吡啶羧酸苄酯

下游产品

更多
  • 313977-45-6

    4-BOC-4-乙氨基哌啶

  • 73874-95-0

    4-Boc-氨基哌啶

  • 159874-20-1

    4-(叔丁氧基羰基氨基)哌啶-1-羧酸苄酯

  • 164518-96-1

    3-(哌啶-4-基)恶唑烷-2-酮

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便