(RS)-4-溴-高-鹅膏蕈氨酸

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

(RS)-4-溴-高-鹅膏蕈氨酸 基本信息

中文名称:
(RS)-4-溴-高-鹅膏蕈氨酸 
中文别名:
(Rs)-4-溴高鹅膏蕈氨酸 
英文名称:
(RS)-4-Bromo-homo-ibotenic acid
英文别名:
(RS)-4-BROMO-HOMO-IBOTENIC ACID;
(R,S)-4-Bromo-homo-ibotenic acid;
BR-HIBO;
(+-)-4-BROMOHOMOIBOTENIC ACID POTENT AMP A AGONIST;
(+/-)-4-BROMOHOMOIBOTENIC ACID;
(RS)-A-AMINO-4-BROMO-3-HYDROXY-5-ISOXAZOLEPROPIONIC ACID 
CAS No.:
71366-32-0
分 子 式:
C6H7BrN2O4
分 子 量:
251.03
精确分子量:
249.95900
PSA:
109.32000
MDL:
MFCD00153776
风险术语:
R23/24/25
安全术语:
S45S36/S37/S39
分子结构式:
SDS:
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(RS)-4-溴-高-鹅膏蕈氨酸 物化性质

密度:
1.95g/cm3
沸点:
443.3ºC at 760 mmHg
闪点:
221.9ºC
折射率:
1.621
存储条件/存储方法:

 

密闭于0-6ºC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:白色固体

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):无可用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

(RS)-4-溴-高-鹅膏蕈氨酸 安全信息

危险类别码:
23/24/25
安全说明:
36/37/39-45

(RS)-4-溴-高-鹅膏蕈氨酸 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。

(RS)-4-溴-高-鹅膏蕈氨酸 MSDS

Name: (RS)-4-Bromo-homo-ibotenic acid Material Safety Data Sheet
Synonym: Br-HIBO; (RS)-a-Amino-4-bromo-3-hydroxy-5-isoazolepropionic aci
CAS: 71366-32-0
Section 1 - Chemical Product   MSDS Name:(RS)-4-Bromo-homo-ibotenic acid Material Safety Data Sheet
Synonym:Br-HIBO; (RS)-a-Amino-4-bromo-3-hydroxy-5-isoazolepropionic aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
71366-32-0 (RS)-4-Bromo-homo-ibotenic acid unlisted
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.Light sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Toxic in contact with skin.
Ingestion:
May cause irritation of the digestive tract. Poison by ingestion.
Inhalation:
May cause respiratory tract irritation. Toxic if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. 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:

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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 71366-32-0: 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: Powder
Color: white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C6H7N2O4Br
Molecular Weight: 250.964

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 71366-32-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(RS)-4-Bromo-homo-ibotenic acid - 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: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
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# 71366-32-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 71366-32-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 71366-32-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

(RS)-4-溴-高-鹅膏蕈氨酸 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:45.72

2、  摩尔体积(m3/mol):139.4

3、  等张比容(90.2K):393.1

4、  表面张力(dyne/cm):63.2

5、  极化率10-24cm3):18.12

计算化学数据

1、  疏水参数计算参考值(XlogP):-2.1

2、  氢键供体数量:2

3、  氢键受体数量:4

4、  可旋转化学键数量:2

5、  拓扑分子极性表面积(TPSA):106

6、  重原子数量:13

7、  表面电荷:0

8、  复杂度:283

9、  同位素原子数量:0

10、  确定原子立构中心数量:1

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

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