80866-91-7 (2-溴吡啶氧化物盐酸盐,2-Bromopyridine N-Oxide Hydrochloride)

CAS号:
80866-91-7
中文名称:
2-溴吡啶氧化物盐酸盐
英文名称:
2-Bromopyridine N-Oxide Hydrochloride
安全信息:
分子式:
C5H5BrClNO
分子量:
210.456299543381

2-溴吡啶氧化物盐酸盐(80866-91-7)名称与标识符

名称

中文别名:
2-溴吡啶氧化物盐酸盐;2-溴吡啶正氧化物盐酸盐;1,1'-[1,4-亚苯基双(亚甲基)]双(4,4'-联吡啶)双(六氟磷酸)盐;2-溴吡啶 N-氧化物盐酸盐;2-溴吡啶-N-氧化物 盐酸盐;2-溴吡啶氮氧化物盐酸盐;
英文别名:
2-Bromopyridine-N-oxide hydrochloride;2-Bromopyridine N-oxide hydrochloride;2-bromo-1-oxidopyridin-1-ium,hydrochloride;2-Bromopyridine 1-oxide hydrochloride;Pyridine,2-bromo-, 1-oxide, compd. with hydrochloric acid (7CI);Pyridine, 2-bromo-,1-oxide, hydrochloride (6CI,9CI);DTXSID60230760;AMY19476;AC-5081;A839996;W-104223;2-Bromopyridine 1-oxide HCl;SCHEMBL1760838;2-Bromopyridine Noxide Hydrochloride;FT-0641785;FRYPQGMFDZBQEW-UHFFFAOYSA-N;AKOS015891613;EINECS 279-594-0;C5H5BrClNO;BS-22870;2-Bromopyridine-N-oxide HCl;80866-91-7;E84119;MFCD00012804;NS00062572;2-bromo-1-oxidopyridin-1-ium;hydrochloride;2-bromopyridine-1-oxide hydrochloride;2-Bromopyridine1-oxidehydrochloride;2-Bromopyridine N-oxide hydrochloride, 97%;Pyridine, 2-bromo-, 1-oxide, compd. with hydrochloric acid (7CI);Pyridine, 2-bromo-, 1-oxide, hydrochloride (6CI, 9CI);DB-020740;DB-355488;

标识符

MDL:
MFCD00012804
InChIKey:
FRYPQGMFDZBQEW-UHFFFAOYSA-N
Inchi:
1S/C5H4BrNO.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H
SMILES:
Cl.[O-][N+]1C(Br)=CC=CC=1
BRN:
3691450

2-溴吡啶氧化物盐酸盐(80866-91-7)物化性质

实验特性

  • LogP : 2.67960
  • PSA : 25.46000
  • 沸点 : 336.2°C at 760 mmHg
  • 熔点 : 131-134 °C (lit.)
  • 闪点 : 157.1°C
  • 颜色与性状 : 灰白色粉末
  • 敏感性 : Hygroscopic

计算特性

  • 精确分子量 : 208.92400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 0
  • 同位素质量 : 208.924
  • 重原子数量 : 9
  • 复杂度 : 78.8
  • 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 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 25.5A^2

2-溴吡啶氧化物盐酸盐(80866-91-7)国际标准相关数据

EINECS:
279-594-0

2-溴吡啶氧化物盐酸盐(80866-91-7)海关数据

海关编码:
2933399090
海关数据:

中国海关编码:

2933399090

概述:

2933399090. 其他结构含非稠合吡啶环的化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-溴吡啶氧化物盐酸盐(80866-91-7)合成路线

合成路线:1 步
反应条件:
参考文献:
Synthesis and crystal structure of Cu(PySe)2Cl2 ((Pyse)2 = bis(2-pyridine-N-oxide)diselenide, HPySe = 2-selenopyridine-N-oxide)
Ma, Deliang; et al, Xuzhou Shifan Daxue Xuebao, 2009, 27(2), 73-77

2-溴吡啶氧化物盐酸盐(80866-91-7) MSDS

基础信息

Name:2-Bromopyridine-N-oxide hydrochloride 97% Material Safety Data Sheet
Synonym:2-Bromopyridine 1-oxide hydrochlorid
CAS:80866-91-7
Section 1 - Chemical Product ? MSDS Name:2-Bromopyridine-N-oxide hydrochloride 97% Material Safety Data Sheet
Synonym:2-Bromopyridine 1-oxide hydrochlorid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
80866-91-72-Bromopyridine-N-oxide hydrochloride97279-594-0
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.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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 immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation.
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 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:
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:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation.
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# 80866-91-7: 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: Powder
Color: off-white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 131.00 - 134.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C5H4BrNO.HCl
Molecular Weight: 210.46

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, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 80866-91-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromopyridine-N-oxide hydrochloride - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 80866-91-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 80866-91-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 80866-91-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A