108831-68-1 (4-氯-5,6-二甲基噻吩[2,3-d]嘧啶,4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine)

CAS号:
108831-68-1
中文名称:
4-氯-5,6-二甲基噻吩[2,3-d]嘧啶
英文名称:
4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine
分子式:
C8H7ClN2S
分子量:
198.672579050064

4-氯-5,6-二甲基噻吩[2,3-d]嘧啶(108831-68-1)名称与标识符

名称

中文别名:
4-氯-5,6-二甲基噻吩[2,3-d]嘧啶;4-氯-5,6-二甲基噻吩并[2,3-d]嘧啶;
英文别名:
4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine;4-Chloro-5,6-dimethyl-thieno[2,3-d]pyrimidine;4-CHLORO-5.6-DIMETHYLTHIENO[2.3-D]PYRIMIDINE;Thieno[2,3-d]pyrimidine,4-chloro-5,6-dimethyl-;NSC 153302;AKOS 92585;AKOS USSH-4110906;BUTTPARK 37\11-56;CHEMBRDG-BB 4010156;IFLAB-BB F1616-0065;4-chloro-5,6-dimethylthieno[3,2-e]pyrimidine;AKOS BBS-00000859;OTAVA-BB BB7012780010;AS-54708;DTXSID00302738;4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine, AldrichCPR;CBDivE_011508;SCHEMBL1604779;Thieno[2,3-d]pyrimidine, 4-chloro-5,6-dimethyl-;EN300-01498;MFCD00464832;J-515044;SY021581;4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine, 96%;AKOS000122277;FT-0683644;NSC153302;AC-28070;NSC-153302;BP-11033;A801930;CS-W010524;Z56887594;HMS1782P10;HYOBKTVPACQCBR-UHFFFAOYSA-N;108831-68-1;TD8039;BB 0219295;F1616-0065;ALBB-012865;STK109941;DB-004921;Ethyl-2,2,2-d3 Alcohol (95% w/w in H2O);2,2,2-Trideuterioethanol; 2,2,2-Trideuteroethanol; Ethanol-2,2,2-d3;

标识符

MDL:
MFCD00464832
InChIKey:
HYOBKTVPACQCBR-UHFFFAOYSA-N
Inchi:
1S/C8H7ClN2S/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3
SMILES:
ClC1=C2C(=NC=N1)SC(C)=C2C

4-氯-5,6-二甲基噻吩[2,3-d]嘧啶(108831-68-1)物化性质

实验特性

  • LogP : 2.96150
  • PSA : 54.02000
  • 折射率 : 1.66
  • 水溶性 : Slightly soluble in water.
  • 沸点 : 322.8°Cat760mmHg
  • 熔点 : 112-115 ºC (methanol )
  • 闪点 : 149°C
  • 溶解度 : Very 微溶 (0.13 g/L) (25 ºC),
  • 密度 : 1.379±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 198.00200
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 198.002
  • 重原子数量 : 12
  • 复杂度 : 178
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 54A^2

4-氯-5,6-二甲基噻吩[2,3-d]嘧啶(108831-68-1)安全信息

4-氯-5,6-二甲基噻吩[2,3-d]嘧啶(108831-68-1)海关数据

海关编码:
2934999090
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

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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4-氯-5,6-二甲基噻吩[2,3-d]嘧啶(108831-68-1) MSDS

基础信息

Name:4-Chloro-5 6-dimethylthieno[2 3-d]pyrimidine Material Safety Data Sheet
Synonym:None Known
CAS:108831-68-1
Section 1 - Chemical Product ? MSDS Name:4-Chloro-5 6-dimethylthieno[2 3-d]pyrimidine Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
108831-68-14-Chloro-5,6-dimethylthieno[2,3-d]pyri97+unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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. 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# 108831-68-1: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 112-113 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: C8H7ClN2S
Molecular Weight: 198.68

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:
Oxidizing agents, bases, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 108831-68-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine - 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
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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 108831-68-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 108831-68-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 108831-68-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A