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2763-96-4

2763-96-4 structure
2763-96-4 structure
  • Name: Muscimol
  • Chemical Name: muscimol
  • CAS Number: 2763-96-4
  • Molecular Formula: C4H6N2O2
  • Molecular Weight: 114.103
  • Create Date: 2018-02-28 08:00:00
  • Modify Date: 2024-01-06 20:58:18
  • Muscimol (Agarin), a psychoactive isoxazole, is a selective neurotransmitter GABA agonist. Muscimol Binds GABAA on both high- and low-affinity sites (Kd=10 and 270 nM, respectively), stimulating chloride efflux with an EC50 value of 200 nM. Muscimol passes the blood-brain barrier (BBB) and has memory-disrupting effects[1].

Name muscimol
Synonyms 5-(aminomethyl)-1,2-oxazol-3-one
5-Aminomethyl-3-hydroxy-isoxazol
PANTHERINE
5-(Aminomethyl)isoxazol-3(2H)-one
Agarine
5-Aminomethyl-3-hydroxyisoxazole
UNII:D5M179TY2E
3(2H)-Isoxazolone, 5-(aminomethyl)-
3-Hydroxy-5-aminomethylisoxazole
MFCD00057894
5-aminomethyl-isoxazol-3-one
Agarin
EINECS 220-430-4
5-(Aminomethyl)-1,2-oxazol-3(2H)-one
Pantherin
3-Hydroxy-5-aminomethyl-isoxazole 5-Aminomethyl-3-hydroxy-isoxazole 5-Aminomethyl-3-isoxazolol
Density 1.4±0.1 g/cm3
Boiling Point 325.0±27.0 °C at 760 mmHg
Melting Point 175-176ºC
Molecular Formula C4H6N2O2
Molecular Weight 114.103
Flash Point 150.4±23.7 °C
Exact Mass 114.042931
PSA 72.28000
LogP -0.93
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.556
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

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
Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H300
Precautionary Statements P264-P301 + P310
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T: Toxic;
Risk Phrases 25
Safety Phrases S22;S45;S36/S37/S39
RIDADR UN 1544 6.1/PG 2
WGK Germany 3
RTECS NY3345000
Packaging Group II
Hazard Class 6.1(a)
HS Code 2934999090

~65%

2763-96-4 structure

2763-96-4

Literature: McCarry; Savard Tetrahedron Letters, 1981 , vol. 22, # 51 p. 5153 - 5156

~33%

2763-96-4 structure

2763-96-4

Literature: Konda; Takahashi; Onda Chemical and Pharmaceutical Bulletin, 1985 , vol. 33, # 3 p. 1083 - 1087

~60%

2763-96-4 structure

2763-96-4

Literature: Pevarello; Varasi Synthetic Communications, 1992 , vol. 22, # 13 p. 1939 - 1948

~38%

2763-96-4 structure

2763-96-4

Literature: Oster, Timothy A.; Harris, Thomas M. Journal of Organic Chemistry, 1983 , vol. 48, # 23 p. 4307 - 4311

~62%

2763-96-4 structure

2763-96-4

Literature: Chiarino, D.; Napoletano, M.; Sala, A. Tetrahedron Letters, 1986 , vol. 27, # 27 p. 3181 - 3182

~51%

2763-96-4 structure

2763-96-4

Literature: Jaeger; Frey 1982 , vol. No. 4, p. 817 - 820

~%

2763-96-4 structure

2763-96-4

Literature: Welch, W. M. Synthetic Communications, 1982 , vol. 12, # 14 p. 1089 - 1091

~%

2763-96-4 structure

2763-96-4

Literature: Nakamura, Norio; Tajima, Yawara; Sakai, Kiyoshi Heterocycles, 1982 , vol. 17, p. 235 - 245
HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%