1,2-二软酯酰基蛋黄素

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 下游产品

1,2-二软酯酰基蛋黄素 基本信息

中文名称:
1,2-二软酯酰基蛋黄素 
中文别名:
L-亮氨酸-7-酰氨基-4-甲基香豆素盐酸盐;
1,2-二软酯酰基蛋黄素;
L-亮氨酰7-氨基-4-甲基香豆素盐酸盐 
英文名称:
Pentanamide,2-amino-4-methyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, monohydrochloride,(2S)- (9CI)
英文别名:
L-Leucine-(4-methyl-7-coumarinylamide) hydrochloride;
2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide,hydrochloride 
CAS No.:
62480-44-8
分 子 式:
C16H20N2O3.ClH
分 子 量:
324.8
精确分子量:
324.12400
PSA:
85.33000
MDL:
MFCD00043262
BRN:
1258699
InChI:
InChI=1/C16H20N2O3.ClH/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11;/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20);1H/t13-;/m0./s1
安全术语:
S22S24/25
分子结构式:
SDS:
查看

1,2-二软酯酰基蛋黄素 物化性质

外观与性状:
白色至近乎于白色粉末
熔点:
248ºC
沸点:
503ºC at 760 mmHg
闪点:
258ºC
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。

稳定性相关:

指定条件下稳定,远离氧化物,强酸,强碱。

其它信息:

1.       性状:白色或者类白色粉末。

2.       密度(g/mL,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):248

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):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:未确定

1,2-二软酯酰基蛋黄素 安全信息

海关代码:
2932209090
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

1,2-二软酯酰基蛋黄素 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。

1,2-二软酯酰基蛋黄素 MSDS

Name: L-Leucine-(4-Methyl-7-Coumarinylamide) Hydrochloride 99% Material Safety Data Sheet
Synonym: None known
CAS: 62480-44-8
Section 1 - Chemical Product   MSDS Name:L-Leucine-(4-Methyl-7-Coumarinylamide) Hydrochloride 99% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
62480-44-8 L-Leucine-(4-Methyl-7-Coumarinylamide) 99 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.
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. 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:
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 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# 62480-44-8: 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: almost white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 248 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 248 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C16H20N2O3.HCl
Molecular Weight: 288.1516

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, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 62480-44-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
L-Leucine-(4-Methyl-7-Coumarinylamide) Hydrochloride - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
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 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 62480-44-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 62480-44-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 62480-44-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1,2-二软酯酰基蛋黄素 海关数据

中国海关编码:2932209090

概述:
2932209090. 其他内酯. 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
摘要/Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,2-二软酯酰基蛋黄素 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:80.72

2、   摩尔体积(m3/mol):238.6

3、   等张比容(90.2K):639.7

4、   表面张力(dyne/cm):51.6

5、   极化率10-24cm3):32.00

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:3

3.氢键受体数量:4

4.可旋转化学键数量:4

5.互变异构体数量:43

6.拓扑分子极性表面积81.4

7.重原子数量:22

8.表面电荷:0

9.复杂度:445

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

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:2

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