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77111-77-4

77111-77-4结构式

常用中文名：2-氯-9-(四氢-2H-吡喃-2-基)-9H-嘌呤-6-胺
常用英文名：2-Chloro-9-(tetrahydropyran-2-yl)adenine
CAS号：77111-77-4
分子式：C₁₀H₁₂ClN₅O
分子量：253.68800
发布时间：2017-09-21 05:43:29
更新时间：2024-01-10 14:53:43

中文名	2-氯-9-(四氢-2H-吡喃-2-基)-9H-嘌呤-6-胺
英文名	2-chloro-9-(oxan-2-yl)purin-6-amine
英文别名	MFCD12964278

分子式	C₁₀H₁₂ClN₅O
分子量	253.68800
精确质量	253.07300
PSA	78.85000
LogP	2.34220
外观性状	白色至黄色固体
储存条件	2-8°C，避光保存，惰性气氛

Name:	2-Chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-6-amine Material Safety Data Sheet
Synonym:	None Known
CAS:	77111-77-4

Section 1 - Chemical Product MSDS Name:2-Chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-6-amine Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
77111-77-4	2-Chloro-9-(tetrahydro-2H-pyran-2-yl)-	100	unlisted

Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes 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: Immediately 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.
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 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:
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
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# 77111-77-4: 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 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 204-210 deg C
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: C10H12ClN5O
Molecular Weight: 253.57

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 77111-77-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-6-amine - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION

Section 13 - DISPOSAL CONSIDERATIONS
Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

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: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 77111-77-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 77111-77-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 77111-77-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关编码	2934999090

20419-68-5

~95%

77111-77-4

文献：Borrmann, Thomas; Abdelrahman, Aliaa; Volpini, Rosaria; Lambertucci, Catia; Alksnis, Edgars; Gorzalka, Simone; Knospe, Melanie; Schiedel, Anke C.; Cristalli, Gloria; Mueller, Christa E. Journal of Medicinal Chemistry, 2009 , vol. 52, # 19 p. 5974 - 5989

110-87-2

5451-40-1

77111-77-4

文献：GLAXOSMITHKLINE LLC; GIBBON, Robert Hermann; LUCAS, Amanda; HERMITAGE, Stephen Andrew Patent: WO2011/98452 A1, 2011 ; Location in patent: Page/Page column 23; 24 ;

110-87-2

77111-77-4

文献：GLAXOSMITHKLINE LLC; BAZIN-LEE, Helene; COE, Diane, Mary; JOHNSON, David, A.; MITCHELL, Charlotte, Jane Patent: WO2011/98451 A1, 2011 ;

5451-40-1

77111-77-4

文献：GLAXOSMITHKLINE LLC; BAZIN-LEE, Helene; COE, Diane, Mary; JOHNSON, David, A.; MITCHELL, Charlotte, Jane Patent: WO2011/98451 A1, 2011 ;

上游产品 3
20419-68-5 110-87-2 5451-40-1
下游产品 0

海关编码	2934999090
中文概述	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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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