(1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸,161660-94-2，生产厂家，价格-洛克化工网移动版

(1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸

中文名称：: (1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸

中文别名：: (1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸;
(1R,3S)-(-)-3-(Boc-氨基)环戊烷羧酸;
(1R,3S)-N-叔丁氧羰基-3-氨基环戊烷-1-羧酸

英文名称：: (+)-(1S,3R)-N-Boc-3-aminocyclopentanecarboxylic acid

英文别名：: (1S,3R)-N-BOC-1-Aminocyclopentane-3-carboxylic acid;
(1R,3S)-(-)-3-(Boc-amino)cyclopentanecarboxylic acid;
(1R,3S)-3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid;
(+)-(1S,3R)-N-BOC-3-AMINOCYCLOPENTANECARBOXYLIC ACID

CAS No.：: 161660-94-2

分子式：: C₁₁H₁₉NO₄

分子量：: 229.27

精确分子量：: 229.13100

PSA：: 75.63000

MDL：: MFCD01320858

InChI：: InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/p-1/t7-,8+/m1/s13

安全术语：: S22 S24/25

分子结构式：

SDS：: 查看

(1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸物化性质

外观与性状：: 白色粉末
密度：: 1.15 g/cm3
熔点：: 96.1ºC
沸点：: 382.5ºC at 760 mmHg
闪点：: 185.1ºC
蒸汽压：: 6.55E-07mmHg at 25°C
存储条件/存储方法：: 密闭于阴凉干燥环境中
稳定性相关：: 遵照规定使用和储存则不会分解。
其它信息：: 1.      性状：白色粉末
2.      密度（g/mL,25/4℃）：无可用
3.      相对蒸汽密度（g/mL,空气=1）：无可用
4.      熔点（ºC）：96.1
5.      沸点（ºC,常压）：无可用
6.      沸点（ºC,5.2kPa）：无可用
7.      折射率：无可用
8.      闪点（ºC）：无可用
9.      比旋光度（º）：无可用
10.   自燃点或引燃温度（ºC）：无可用
11.   蒸气压（kPa,25ºC）：无可用
12.   饱和蒸气压（kPa,60ºC）：无可用
13.   燃烧热（KJ/mol）：无可用
14.   临界温度（ºC）：无可用
15.   临界压力（KPa）：无可用
16.   油水（辛醇/水）分配系数的对数值：无可用
17.   爆炸上限（%,V/V）：无可用
18.   爆炸下限（%,V/V）：无可用
19.   溶解性：可溶于水

(1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸安全信息

海关代码：: 2924299090
WGK_Germany：: 3
德国有关水污染物质的分类清单
安全说明：: S22
危险标志：: Xi

(1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸毒理性

生态数据：: 该物质对环境可能有危害，对水体应给予特别注意。

(1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸 MSDS

Name:	(1S 3R)-N-BOC-1-Aminocyclopentane-3-Carboxylic Acid 95% (98% E.E.) Material Safety Data Sheet
Synonym:	(1S,3R)-N-tert-Butoxycarbonyl-1-Aminocyclopentane-3-Carboxylic Acid
CAS:	161660-94-2

Section 1 - Chemical Product MSDS Name:(1S 3R)-N-BOC-1-Aminocyclopentane-3-Carboxylic Acid 95% (98% E.E.) Material Safety Data Sheet
Synonym:(1S,3R)-N-tert-Butoxycarbonyl-1-Aminocyclopentane-3-Carboxylic Acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
161660-94-2	(1S,3R)-N-BOC-1-Aminocyclopentane-3-Ca	95%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. 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 breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
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# 161660-94-2: 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:
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 to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 96.1 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: C11H19NO4
Molecular Weight: 229.27

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 161660-94-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(1S,3R)-N-BOC-1-Aminocyclopentane-3-Carboxylic Acid, 95%, (98% E.E.) - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Not regulated as a hazardous material.

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# 161660-94-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 161660-94-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 161660-94-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

(1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸海关数据

中国海关编码：2924299090

概述：: 2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%
申报要素：: 品名, 成分含量, 用途, 包装
摘要/Summary：: 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸分子结构与计算化学数据

分子结构数据

1、摩尔折射率：58.05

2、

摩尔体积（m³/mol）：199.0

3、

等张比容（90.2K）：509.1

4、

表面张力（dyne/cm）：42.8

5、

极化率（10^-24cm³

）：23.01

计算化学数据

1、疏水参数计算参考值（XlogP）：2

2、

氢键供体数量：1

3、

氢键受体数量：4

4、

可旋转化学键数量：3

5、

拓扑分子极性表面积（TPSA）：78.5

6、

重原子数量：16

7、

表面电荷：-1

8、

复杂度：277

9、

同位素原子数量：0

10、

确定原子立构中心数量：2

11、

不确定原子立构中心数量：0

12、

确定化学键立构中心数量：0

13、

不确定化学键立构中心数量：0

14、

共价键单元数量：1

(1S,3R)-N-BOC-1-氨基环戊烷-3-羧酸上游产品

(-)-(1S,4R)-N-叔丁氧羰基-4-氨基环戊-2-烯-1-甲酸 2-氮杂双环[2.2.1]庚-5-烯-3-酮 2-氮杂双环[2,2,1]庚-3-酮 (1S,4R)-4-氨基-2-环戊烯-1-羧酸盐酸盐(1:1) (-)-(1S,4R)-N-叔丁氧羰基-4-氨基环戊-2-烯-1-甲酸 2-氮杂双环[2.2.1]庚-5-烯-3-酮 2-氮杂双环[2,2,1]庚-3-酮 (1S,4R)-4-氨基-2-环戊烯-1-羧酸盐酸盐(1:1)