2,8-disulfanyl-3,7-dihydro-6H-purin-6-one

Modify Date: 2024-07-18 07:21:48

2,8-disulfanyl-3,7-dihydro-6H-purin-6-one Structure
2,8-disulfanyl-3,7-dihydro-6H-purin-6-one structure
Common Name 2,8-disulfanyl-3,7-dihydro-6H-purin-6-one
CAS Number 15986-32-0 Molecular Weight 200.242
Density 1.9±0.1 g/cm3 Boiling Point 572.8±60.0 °C at 760 mmHg
Molecular Formula C5H4N4OS2 Melting Point 93°C
MSDS N/A Flash Point 300.2±32.9 °C

 Names

Name 2,8-bis(sulfanylidene)-7,9-dihydro-3H-purin-6-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.9±0.1 g/cm3
Boiling Point 572.8±60.0 °C at 760 mmHg
Melting Point 93°C
Molecular Formula C5H4N4OS2
Molecular Weight 200.242
Flash Point 300.2±32.9 °C
Exact Mass 199.982651
PSA 152.29000
LogP 0.35
Vapour Pressure 0.0±1.6 mmHg at 25°C
Index of Refraction 1.956

 MSDS

Name: 2 8-Dimercapto-6-hydroxypurine Material Safety Data Sheet
Synonym: None Known
CAS: 15986-32-0
Section 1 - Chemical Product MSDS Name:2 8-Dimercapto-6-hydroxypurine Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
15986-32-0 2,8-Dimercapto-6-hydroxypurine 100 240-120-2
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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. 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 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. 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 breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 15986-32-0: 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:
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: Solid
Color: Not available.
Odor: Not available.
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: C5H4N4OS2
Molecular Weight: 200.24

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:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 15986-32-0: UO9050000 LD50/LC50:
Not available.
Carcinogenicity:
2,8-Dimercapto-6-hydroxypurine - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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.
WGK (Water Danger/Protection)
CAS# 15986-32-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15986-32-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15986-32-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO9050000
CHEMICAL NAME :
Purine-6-ol, 2,8-dimercapto-
CAS REGISTRY NUMBER :
15986-32-0
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H4-N4-O-S2
MOLECULAR WEIGHT :
200.25
WISWESSER LINE NOTATION :
T56 BM DN FN HNJ CSH GSH IQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

 Safety Information

Risk Phrases R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Phrases S26-S37
RTECS UO9050000
HS Code 2933990090

 Synthetic Route

~%

2,8-disulfanyl-3,7-dihydro-6H-purin-6-one Structure

2,8-disulfanyl-...

CAS#:15986-32-0

Literature: Journal of Biological Chemistry, , vol. 14, p. 302

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2,8-dithio-uric acid
2,8-Mercaptohypoxanthine
2,8-Dithio-harnsaeure
2,8-disulfanyl-3,7-dihydro-6H-purin-6-one
1,2,3,7,8,9-hexahydro-2,8-dithioxo-6H-purin-6-one
Purine-6-ol,2,8-dimercapto
6H-purin-6-one, 3,7-dihydro-2,8-dimercapto-
2,5-DIOXAHEXANEDIOIC ACID DIETHYL ESTER
2,8-Dithio-6-oxypurine
6H-Purin-6-one, 1,2,3,7,8,9-hexahydro-2,8-dithioxo-
2,8-DIMERCAPTO-6-HYDROXYPURINE
EINECS 240-120-2
2,8-Dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one
MFCD00047144
Dithio-6-oxypurine
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