(R)-(-)-4-氰基-3-羟基丁酸乙酯,141942-85-0，生产厂家，价格-洛克化工网移动版

(R)-(-)-4-氰基-3-羟基丁酸乙酯

中文名称：: (R)-(-)-4-氰基-3-羟基丁酸乙酯

中文别名：: R(-)-4-氰基-3-羟基丁酸乙酯;
4-氰基-3-羟基丁酸乙酯;
侧链ATS-5;
(R)-(-)-3-羟基-4-氰基丁酸乙酯;
(R)-4-氰基-3-羟基丁酸乙酯;
(R)-(-)-4-氰基-3-羟基丁酸乙酯

英文名称：: Ethyl (R)-(-)-4-cyano-3-hydroxybutyate

英文别名：: Ethyl (R)-(-)-4-cyano-3-hydroxybutyate;
ATS-5;
Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate;
Ethyl (R)-(?)-4-cyano-3-hydroxybutyrate;
Ethyl (R)-4-cyano-3-hydroxybutanoate;
(R)-(-)-4-Cyano-3-hydroxybutyratic acid,ethyl ester;
RETINCIC ACID;
(R)-(-)-4-Cyano-3-hydroxybutyric Acid Ethyl Ester

CAS No.：: 141942-85-0

分子式：: C₇H₁₁NO₃

分子量：: 157.17

精确分子量：: 157.07400

PSA：: 70.32000

MDL：: MFCD00270839

EINECS：: 000-000-0

BRN：: 5328715

InChI：: InChI=1/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s13

危险品标志：: Xi:

风险术语：: 36/37/38;

安全术语：: 26-36;

分子结构式：

SDS：: 查看

(R)-(-)-4-氰基-3-羟基丁酸乙酯制备方法及用途

制备方法

阿托伐他汀钙中间体。

用途简介

用途

1、医药中间体，是降血脂药物阿伐他汀钙的主要原料

2、用作药品阿伐他汀中间体

(R)-(-)-4-氰基-3-羟基丁酸乙酯物化性质

外观与性状：: 黄色液体
密度：: 1.114 g/mL at 25 °C(lit.)
沸点：: 270 °C(lit.)
闪点：: >230 °F
折射率：: n20/D 1.448(lit.)
蒸汽压：: 1.75E-05mmHg at 25°C
存储条件/存储方法：: 保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置
稳定性相关：: 如果遵照规格使用和储存则不会分解，未有已知危险反应
避免氧化物、酸
其它信息：: 1.        性状：无色的液体

2.         密度（g/mL,20℃）：1.114

3.         相对蒸汽密度（g/mL,空气=1）：未确定

4.         熔点（ºC）：未确定

5.         沸点（ºC,常压）：270

6.         沸点（ºC,KPa）：未确定

7.         折射率：n20/D 1.448

8.         闪点（ºC）：>110

9.         比旋光度（º）：-5

10.      自燃点或引燃温度（ºC）：未确定

11.      蒸气压（Pa,20ºC）：未确定

12.      饱和蒸气压（KPa,20ºC）：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：不溶于水

(R)-(-)-4-氰基-3-羟基丁酸乙酯安全信息

海关代码：: 2926909090
WGK_Germany：: 1
德国有关水污染物质的分类清单
危险类别码：: R36/37/38
安全说明：: 26-36
安全标志：: S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志：: Xi:Irritant

(R)-(-)-4-氰基-3-羟基丁酸乙酯毒理性

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

(R)-(-)-4-氰基-3-羟基丁酸乙酯 MSDS

Name:	Ethyl (R)-4-cyano-3-hydroxybutanoate 99% Material Safety Data Sheet
Synonym:
CAS:	141942-85-0

Section 1 - Chemical Product MSDS Name:Ethyl (R)-4-cyano-3-hydroxybutanoate 99% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
141942-85-0	Ethyl (R)-4-cyano-3-hydroxybutanoate	99%	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, or foam. Do NOT use 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.

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# 141942-85-0: 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: Clear liquid
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: > 270 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 190 deg C (> 374.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density: 1.114
Molecular Formula: C7H11NO3
Molecular Weight: 157.17

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
High temperatures, incompatible materials, light, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 141942-85-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl (R)-4-cyano-3-hydroxybutanoate - 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# 141942-85-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 141942-85-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 141942-85-0 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

(R)-(-)-4-氰基-3-羟基丁酸乙酯海关数据

中国海关编码：2926909090

概述：: 2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 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
摘要/Summary：: HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

(R)-(-)-4-氰基-3-羟基丁酸乙酯分子结构与计算化学数据

分子结构数据

1、摩尔折射率：37.66

2、摩尔体积（cm³/mol）：138.8

3、等张比容（90.2K）：357.7

4、表面张力（dyne/cm）：44.1

5、介电常数：无可用的

6、极化率（10^-24cm³）：14.92

7、单一同位素质量：157.073893 Da

8、标称质量：157 Da

9、平均质量：157.1671 Da

计算化学数据

1.疏水参数计算参考值（XlogP）:-0.5

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:5

5.互变异构体数量:无

6.拓扑分子极性表面积70.3

7.重原子数量:11

8.表面电荷:0

9.复杂度:170

10.同位素原子数量:0

11.确定原子立构中心数量:1

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

(R)-(-)-4-氰基-3-羟基丁酸乙酯上游产品

氰化钠 DL-4-氯-3-羟基丁酸乙酯乙醇

(R)-(-)-4-氰基-3-羟基丁酸乙酯下游产品

(R)-4-羟基哌啶-2-酮 6-氰甲基-2,2-二甲基-1,3-二氧戊环-乙酸叔丁酯乙酰乙酸叔丁酯 (5R)-6-氰基-5-羟基-3-氧代己酸叔丁基酯