5349-17-7 (4-(溴乙酰基)吡啶氢溴酸盐,2-Bromo-1-(pyridin-4-yl)ethanone hydrobromide)

快速询单

结构式：

4-(溴乙酰基)吡啶氢溴酸盐MOL文件

CAS号：

5349-17-7

中文名称：

4-(溴乙酰基)吡啶氢溴酸盐

英文名称：

2-Bromo-1-(pyridin-4-yl)ethanone hydrobromide

分子式：

C₇H₇Br₂NO

分子量：

280.944580316544

4-(溴乙酰基)吡啶氢溴酸盐(5349-17-7)名称与标识符

名称

中文别名：

4-(溴乙酰基)吡啶氢溴酸盐;2-溴-1-(4-吡啶基)-1-乙酮氢溴酸;4-(溴乙酰基)吡啶溴酸盐;4-(溴乙酰基)吡啶盐酸盐;2-溴-1-(4-吡啶基)乙酮;4-(溴乙酰基)吡啶盐酸;4-溴乙酰基吡啶氢溴酸盐;

英文别名：

2-Bromo-1-(pyridin-4-yl)ethanone hydrobromide;2-Bromo-1-(4-pyridinyl)-1-ethanone hydrobromide;2-BROMO-1-PYRDIN-4-YLETHAN-1-ONE HYDROBROMIDE;4-(Bromoacetyl)pyridine Hcl;4-(Bromoacetyl)pyridine hydrobromide;4-BromoAcetyl Pyridine hbr;2-bromo-1-pyridin-4-ylethanone,hydrobromide;5349-17-7;AC-23156;2-bromo-1-(pyridin-4-yl)ethanone hydro bromide;SCHEMBL66813;AKOS015833552;2-bromo-1-(pridin-4-yl)-ethanone hydrobromide;FT-0600977;2-bromo-1-pyridin-4-yl-ethanone hydrogen bromide;AM20061290;A829626;2-bromo-1-(pyridin-4-yl)-ethanone hydrobromide;2-bromo-1-(pyridin-4-yl) ethanone hydrobromide;2-bromo-1-(4-pyridinyl)ethanone hydrobromide;MFCD02681893;2-bromo-1-(pyridin-4-yl)ethanonehydrobromide;2-BROMO-1-(4-PYRIDINYL)-1-ETHANONE HBR;BROMOMETHYL 4-PYRIDYL KETONE, HYDROBROMIDE;2-bromo-1-pyridin-4-ylethanone hydrobromide;CS-W003980;2-bromo-1-(4-pyridyl)ethanone hydrobromide;DS-1526;2-bromo-1-(pyridin-4-yl)ethan-1-one hydrobromide;EN300-1605429;alpha-Bromo-4-acetylpyridine hydrobromide;AB12154;NSC1186;4-bromoacetylpyridine hydrobromide;ethanone, 2-bromo-1-(4-pyridinyl)-, hydrobromide;2-bromo-1-pyridin-4-yl-ethanone Hydrobromide;4-bromoacetyl pyridine bromohydride;4-(2-bromoacetyl)pyridine hydrobromide;2-bromo-1-pyrid-4-ylethanone hydrobromide;RGALBQILADNMKA-UHFFFAOYSA-N;NSC-1186;2-bromo-1-pyridin-4-ylethanone;hydrobromide;4-(BROMOACETYL)PYRIDINE HBR;4-(bromoacetyl) pyridine hydrobromide;2-bromo-1-(4-pyridinyl)-ethanone hydrobromide;DTXSID90379914;4-(bromoacetyl)-pyridine hydrobromide;621-664-3;DTXCID50330940;

标识符

MDL：

MFCD02681893

InChIKey：

RGALBQILADNMKA-UHFFFAOYSA-N

Inchi：

1S/C7H6BrNO.BrH/c8-5-7(10)6-1-3-9-4-2-6;/h1-4H,5H2;1H

SMILES：

BrCC(C1C=CN=CC=1)=O.Br

4-(溴乙酰基)吡啶氢溴酸盐(5349-17-7)物化性质

实验特性

LogP : 2.61730
PSA : 29.96000
水溶性 : Soluble in water.
沸点 : 268.3°Cat760mmHg
熔点 : 194-195 ºC
闪点 : 116°C
密度 : 1.57

计算特性

精确分子量 : 278.88900
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 278.889
重原子数量 : 11
复杂度 : 121
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 : 2
表面电荷 : 0
拓扑分子极性表面积 : 30A^2

4-(溴乙酰基)吡啶氢溴酸盐(5349-17-7)安全信息

安全术语： S26;S37/39
安全说明： S26-S37/39
风险术语： R36/37/38
危险品标志： Xi
危害声明：H314; H318
警示性声明：P261; P280; P305+P351+P338; P304+P340; P405; P501
储存条件： Store long-term at -20°C
PackingGroup： II
危险类别码： R36/37/38
信号词： Warning
HazardClass： 8

4-(溴乙酰基)吡啶氢溴酸盐(5349-17-7)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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4-(溴乙酰基)吡啶氢溴酸盐(5349-17-7) MSDS

基础信息

Name:	2-Bromo-1-(4-pyridinyl)-1-ethanone hydrobromide 97% Material Safety Data Sheet
Synonym:
CAS:	5349-17-7

Section 1 - Chemical Product ? MSDS Name:2-Bromo-1-(4-pyridinyl)-1-ethanone hydrobromide 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5349-17-7	2-Bromo-1-(4-pyridinyl)-1-ethanone hyd	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# 5349-17-7: 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: Powder
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# 5349-17-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-(4-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# 5349-17-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5349-17-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5349-17-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A