3(2H)-Isoxazolone,5-(aminomethyl)-

物化性质

外观与性状：

白色至灰白色粉末

密度：

1.291g/cm3

熔点：

175-176ºC

沸点：

325ºC at 760mmHg

闪点：

150.4ºC

存储条件/存储方法：

库房通风低温干燥

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：白色至类白色粉末

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）：175-176

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：溶于乙醇

安全信息

外观与性状：

白色至灰白色粉末

密度：

1.291g/cm3

熔点：

175-176ºC

沸点：

325ºC at 760mmHg

闪点：

150.4ºC

存储条件/存储方法：

库房通风低温干燥

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：白色至类白色粉末

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）：175-176

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：溶于乙醇

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

NY3325000

CHEMICAL NAME :

3-Isoxazolol, 5-(aminomethyl)-

CAS REGISTRY NUMBER :

2763-96-4

LAST UPDATED :

199701

DATA ITEMS CITED :

9

MOLECULAR FORMULA :

C4-H6-N2-O2

MOLECULAR WEIGHT :

114.12

WISWESSER LINE NOTATION :

T5NOJ C1Z EQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Human

DOSE/DURATION :

109 ug/kg

TOXIC EFFECTS :

Behavioral - sleep Behavioral - hallucinations, distorted perceptions Gastrointestinal - nausea or vomiting

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

45 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4500 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

22 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0000338

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2500 ug/kg

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3800 ug/kg

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5620 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11824

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

10 mg/kg

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968

毒理学数据：

1 。
试验方法：未报告
摄入剂量： 109微克/千克
测试对象：人力
毒性类型：急性
毒性作用： 1.睡眠
2.幻觉，扭曲的观念
3.恶心或呕吐
2 。
试验方法：口服
摄入剂量： 45毫克/千克
测试对象：啮齿动物-鼠
毒性类型：急性
毒性作用： 详细的毒副作用没有报告以外的其他致死剂量值

3 。
试验方法：静脉
摄入剂量： 4500微克/千克
测试对象：啮齿动物-鼠
毒性类型：急性
毒性作用：详细的毒副作用没有报告以外的其他致死剂量值

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。

MSDS

Name:	Muscimol hydrate 98+% Material Safety Data Sheet
Synonym:	5-(Aminomethyl)-3-Isoxazolol; 5-Aminomethyl-3-Hydroxyisoxazole
CAS:	2763-96-4

Section 1 - Chemical Product   MSDS Name:Muscimol hydrate 98+% Material Safety Data Sheet
Synonym:5-(Aminomethyl)-3-Isoxazolol; 5-Aminomethyl-3-Hydroxyisoxazole
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2763-96-4	Muscimol	98+%	220-430-4

Hazard Symbols: T
Risk Phrases: 23/24/25
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.Highly toxic.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May be fatal if swallowed. 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 immediately. 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. Runoff from fire control or dilution water may cause pollution.
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. Remove contaminated clothing and wash before reuse. 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:
Keep container closed when not in use. 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# 2763-96-4: 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 minimize contact with skin.
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: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 150 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C4H6N2O2.xH2O
Molecular Weight: 114.10
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Acid chlorides, acid anhydrides, strong acids, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2763-96-4: NY3325000 LD50/LC50:
CAS# 2763-96-4: Oral, mouse: LD50 = 22 mg/kg; Oral, rat: LD50 = 45 mg/kg.
Carcinogenicity:
Muscimol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
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.
USA RQ: CAS# 2763-96-4: 1000 lb final RQ; 454 kg final RQ
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 23 Do not inhale gas/fumes/vapour/spray.
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 2763-96-4: 3
Canada
CAS# 2763-96-4 is listed on Canada's NDSL List.
CAS# 2763-96-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2763-96-4 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2934999090

概述：

2934999090. 其他杂环化合物. 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：

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：26.74

2、 摩尔体积（m³/mol）：88.3

3、 等张比容（90.2K）：227.9

4、 表面张力（dyne/cm）：44.3

5、 极化率（10^-24cm³）：10.60

计算化学数据

1.疏水参数计算参考值（XlogP）:-1.4

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积64.4

7.重原子数量:8

8.表面电荷:0

9.复杂度:141

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: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