N-Boc-4-硫代甲酰胺

N-Boc-4-硫代甲酰胺 基本信息
CAS号 214834-18-1 分子式 C11H20N2O2S
分子量 244.35400 精确质量  244.12500
PSA  87.65000 LogP  2.55780

基本信息 展开↓

CAS号:
214834-18-1
3D弹球模型:
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分子式:
C11H20N2O2S
分子量:
244.35400
中文名称:
N-Boc-4-硫代甲酰胺
英文名称:
tert-butyl 4-carbamothioylpiperidine-1-carboxylate
中文别名:
N-Boc-4-硫代甲酰胺;
Boc-哌啶-4-硫代甲酰胺;
4-氨基硫代羰基四氢吡啶-1(2H)-甲酸叔丁酯
英文别名:
tert-butyl 4-carbamothioylpiperidine-1-carboxylate;
tert-butyl-4-carbamothioylpiperidine-1-carboxylate;
1-tert-Butoxycarbonylpiperidine-4-carbothioamide;
tert-butyl 4-thiocarbamoylpiperidine-1-carboxylate;
1-Boc-4-thiocarbamoylpiperidine;
tert-Butyl 4-carbamothioylpiperidine-1-carboxylate;
N-boc-4-aminothiocarbonylpiperidine;
Piperidine-4-thiocarboxamide,N1-BOC protected
精确分子量/精确质量:
244.12500
极性分子表面积/PSA:
87.65000
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: SCGQNJHAAYUQOO-UHFFFAOYSA-N

物化性质展开↓

密度:
1.158g/cm3
熔点:
130-131ºC
沸点:
356ºC at 760mmHg
闪点:
169.1ºC

安全信息展开↓

海关代码:
2933399090
危险类别码:
R22;R36/37/38
安全说明:
S22-S26-S36/37/39
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 91419-48-6

    1-叔丁氧羰基-4-哌啶甲酰胺

  • ~92%

  • 214834-18-1

    N-Boc-4-硫代甲酰胺

  • 39546-32-2

    哌啶-4-甲酰胺

  • +

  • 24424-99-5

    二碳酸二叔丁酯

  • 214834-18-1

    N-Boc-4-硫代甲酰胺

  • 84358-13-4

    1-Boc-4-哌啶甲酸

  • 214834-18-1

    N-Boc-4-硫代甲酰胺

MSDS 展开↓

Name: tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate Material Safety Data Sheet
Synonym: 1-(t-Butyloxycarbonyl)piperidine-4-thiocarboxamid
CAS: 214834-18-1
Section 1 - Chemical Product   MSDS Name:tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate Material Safety Data Sheet
Synonym:1-(t-Butyloxycarbonyl)piperidine-4-thiocarboxamid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
214834-18-1 tert-Butyl 4-(aminocarbothioyl)tetrahy 95+% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 214834-18-1: 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: Solid
Color: white
Odor: stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 122 - 124 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H20N2O2S
Molecular Weight: 244

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, acids, bases, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 214834-18-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 214834-18-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 214834-18-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 214834-18-1 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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