2-溴-1-(2-吡啶基)-1-乙酮氢溴酸

2-溴-1-(2-吡啶基)-1-乙酮氢溴酸 基本信息
CAS号 17570-98-8 分子式 C7H7Br2NO
分子量 280.94500 精确质量  278.88900
PSA  29.96000 LogP  2.61730

基本信息 展开↓

CAS号:
17570-98-8
3D弹球模型:
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分子式:
C7H7Br2NO
分子量:
280.94500
中文名称:
2-溴-1-(2-吡啶基)-1-乙酮氢溴酸
英文名称:
2-(Bromoacetyl)Pyridine Hydrobromide
中文别名:
2-溴-1-(2-吡啶基)-1-乙酮氢溴酸;
2-溴乙酰基吡啶氢溴酸盐
英文别名:
2-(Bromoacetyl)Pyridine Hydrobromide;
2-(Bromoacetyl)pyridine hydrobromide;
2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide;
2-bromo-1-pyridin-2-ylethanone,hydrobromide
精确分子量/精确质量:
278.88900
极性分子表面积/PSA:
29.96000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H

物化性质展开↓

密度:
1.57g/cm3
熔点:
205ºC
沸点:
249.1ºC at 760mmHg
闪点:
104.5ºC
蒸汽压:
0.0233mmHg at 25°C

安全信息展开↓

海关代码:
2933399090
危险类别码:
R36/37/38
安全说明:
26-36/37/39
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 1122-62-9

    2-乙酰基吡啶

  • ~97%

  • 17570-98-8

    2-溴-1-(2-吡啶基)-1-乙酮氢溴酸

  • 1122-54-9

    4-乙酰吡啶

  • ~90%

  • 17570-98-8

    2-溴-1-(2-吡啶基)-1-乙酮氢溴酸

  • 113738-31-1

    1-pyridin-2-ylethanone,hydrobromide

  • ~19%

  • 17570-98-8

    2-溴-1-(2-吡啶基)-1-乙酮氢溴酸

MSDS 展开↓

Name: 2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide 97% Material Safety Data Sheet
Synonym:
CAS: 17570-98-8
Section 1 - Chemical Product   MSDS Name:2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17570-98-8 2-Bromo-1-(2-pyridinyl)-1-ethanone hy 97% 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.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with 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.
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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.) Store under an inert atmosphere.

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# 17570-98-8: Personal Protective Equipment Eyes: Not available.
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: Crystals
Color: white
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: C7H7Br2NO
Molecular Weight: 280.95

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 17570-98-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 17570-98-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17570-98-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17570-98-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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
摘要/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%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积:30

7.重原子数量:11

8.表面电荷:0

9.复杂度:127

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

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