2017平特一肖公式规律算法:DL-N-苯甲酰-2-異丙酯絲氨酸

  • 基本信息
  • 物化性質
  • 安全信息
  • 毒理性
  • MSDS
  • 結構與計算化學

DL-N-苯甲酰-2-異丙酯絲氨酸 基本信息

中文名稱:
DL-N-苯甲酰-2-異丙酯絲氨酸 
中文別名:
DL-N-苯甲酰-2-異丙酯絲氨酸;
Dl-n-苯甲?;?2-異丙基絲氨酸 
英文名稱:
Valine,N-benzoyl-2-(hydroxymethyl)-
英文別名:
(2S)-2-benzamido-2-(hydroxymethyl)-3-methylbutanoate;
DL-N-BENZOYL-2-ISOPROPYLSERINE;
DL-2-BENZOYLAMINO-2-HYDROXYMETHYL-3-METHYLBUTYRIC ACID 
CAS No.:
52421-46-2
分 子 式:
C13H17NO4
分 子 量:
251.28
精確分子量:
251.11600
PSA:
86.63000
MDL:
MFCD01863307
InChI:
The Key: LNEDAIGVCSVPDM-UHFFFAOYSA-N
安全術語:
S24/25
分子結構式:
SDS:
查看

DL-N-苯甲酰-2-異丙酯絲氨酸 物化性質

熔點:
147-149oC
沸點:
511.7oC at 760mmHg
閃點:
263.2oC
存儲條件/存儲方法:

 

 密閉于陰涼干燥環境中

穩定性相關:

 

遵照規定使用和儲存則不會分解。

其它信息:

1.       性狀:無可用

2.       密度(g/mL,25/4):無可用

3.       相對蒸汽密度(g/mL,空氣=1):無可用

4.       熔點(oC):147-149

5.       沸點(oC,常壓):無可用

6.       沸點(oC,5.2kPa):無可用

7.       折射率:無可用

8.       閃點(oC):無可用

9.       比旋光度(o):無可用

10.    自燃點或引燃溫度(oC):無可用

11.    蒸氣壓(kPa,25oC):無可用

12.    飽和蒸氣壓(kPa,60oC):無可用

13.    燃燒熱(KJ/mol):無可用

14.    臨界溫度(oC):無可用

15.    臨界壓力(KPa):無可用

16.    油水(辛醇/水)分配系數的對數值:無可用

17.    爆炸上限(%,V/V):無可用

18.    爆炸下限(%,V/V):無可用

19.    溶解性:無可用

DL-N-苯甲酰-2-異丙酯絲氨酸 安全信息

安全說明:
S24/25
安全標志:
S24/25:防止皮膚和眼睛接觸。

DL-N-苯甲酰-2-異丙酯絲氨酸 毒理性

生態數據:

 

 

通常對水是不危害的,若無政府許可,勿將材料排入周圍環境。

DL-N-苯甲酰-2-異丙酯絲氨酸 MSDS

Name: DL-N-Benzoyl-2-Isopropylserine Material Safety Data Sheet
Synonym: DL-2-Benzoylamino-2-Hydroxymethyl-3-Methylbutyric Acid
CAS: 52421-46-2
Section 1 - Chemical Product ? MSDS Name:DL-N-Benzoyl-2-Isopropylserine Material Safety Data Sheet
Synonym:DL-2-Benzoylamino-2-Hydroxymethyl-3-Methylbutyric Acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
52421-46-2 DL-N-Benzoyl-2-isopropylserine ca 100 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 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 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# 52421-46-2: 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:
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: Crystalline powder
Color: white
Odor: odorless
pH: 2.4 (1% aq. sol.)
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 170 deg C
Solubility in water: 0.5 g/l (20C)
Specific Gravity/Density:
Molecular Formula: C29H32ClN3
Molecular Weight: 458.03

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: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 52421-46-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
DL-N-Benzoyl-2-isopropylserine - 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.
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# 52421-46-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 52421-46-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52421-46-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

DL-N-苯甲酰-2-異丙酯絲氨酸 分子結構與計算化學數據

分子結構數據

1、   摩爾折射率:66.06

2、   摩爾體積m3/mol204.8

3、   等張比容(90.2K):550.3

4、   表面張力dyne/cm52.0

5、   極化率10-24cm326.18

計算化學數據

1.疏水參數計算參考值(XlogP):1.9

2.氫鍵供體數量:2

3.氫鍵受體數量:4

4.可旋轉化學鍵數量:4

5.互變異構體數量:2

6.拓撲分子極性表面積89.5

7.重原子數量:18

8.表面電荷:-1

9.復雜度:305

10.同位素原子數量:0

11.確定原子立構中心數量:1

12.不確定原子立構中心數量:0

13.確定化學鍵立構中心數量:0

14.不確定化學鍵立構中心數量:0

15.共價鍵單元數量:1

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