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2-溴-4,5-二氯咪唑 | 16076-27-0

2-溴-4,5-二氯咪唑
2-Bromo-4,5-dichloro-1H-imidazole
16076-27-0
C3HN2Cl2Br
215.86344
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-溴-4,5-二氯咪唑结构式
2-溴-4,5-二氯咪唑MOL
24879054
名称和标识符
MDL MFCD00067894
InChIKey SULQOTGFPPFUMG-UHFFFAOYSA-N
Inchi InChI=1S/C3HBrCl2N2/c4-3-7-1(5)2(6)8-3/h(H,7,8)
SMILES C1(=C(Cl)N=C(Br)N1)Cl
BRN 606732
别名信息
- 中文别名 -
  • 2-溴-4,5-二氯咪唑
  • 2,3-二羟基喹啉
  • 2-溴-4,5-二氯-1H-咪唑
- 英文别名 -
  • 2-Bromo-4,5-dichloro-1H-imidazole
  • 2-Bromo-4,5-dichloroimidazole
  • 1H-Imidazole,2-bromo-4,5-dichloro
  • 2-Brom-4,5-dichlorimidazol
  • 2-bromo-4,5-dichloro-imidazole
  • Imidazole,2-bromo-4,5-dichloro
  • Imidazole,5-dichloro
  • Imidazole,2-bromo-4,5-dichloro- (8CI)
  • NSC 226574
  • 2-bromo-4,5-dichloro-1H-imidazole
  • MFCD00067894
  • W4VL672K4J
  • AKOS015901718
  • Imidazole, 2-bromo-4,5-dichloro-
  • 1H-Imidazole, 2-bromo-4,5-dichloro-
  • A3559
  • Imidazole,5-dichloro-
  • 16076-27-0
  • H10507
  • NSC226574
  • 5-23-04-00463 (Beilstein Handbook Reference)
  • FT-0611427
  • UNII-W4VL672K4J
  • DTXSID80166976
  • NSC-226574
  • SCHEMBL189428
  • PS-5053
  • CHEMBL360417
  • W-205866
  • BRN 0606732
  • 2-Bromo-4,5-dichloroimidazole, 96%
  • 4,5-dichloro-1h-imidazole-2-carboxylic acid ethyl ester
  • 1H-Imidazole,5-dichloro-
物化性质
实验特性
LogP 2.47900
PSA 28.68000
折射率 1.636
沸点 350.8±45.0 °C at 760 mmHg
熔点 223 °C (dec.) (lit.)
蒸气压 0.0±0.8 mmHg at 25°C
闪点 166.0±28.7 °C
颜色与性状 白色结晶或粉末
溶解性 未确定
密度 2.1±0.1 g/cm3
计算特性
精确分子量 213.87000
氢键供体数量 1
氢键受体数量 2
可旋转化学键数量 0
同位素质量 213.87
重原子数量 8
复杂度 91.4
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)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 28.7A^2
海关数据
海关编码 2933290090
海关数据

中国海关编码:

2933290090

概述:

2933290090. 其他结构含非稠合咪唑环的化合物. 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:

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

生产方法和用途
用途 用作医药中间体
相关文献
专业数据库参考
PubChemId 24879054
参考资料
Reaxys RN
2-溴-4,5-二氯咪唑 MSDS
基础信息
Name: 2-Bromo-4 5-dichloro-1h-imidazole 97% Material Safety Data Sheet
Synonym:
CAS: 16076-27-0
Section 1 - Chemical Product ? MSDS Name:2-Bromo-4 5-dichloro-1h-imidazole 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
16076-27-0 2-Bromo-4,5-dichloro-1H-imidazole 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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 cool, dry place. Store in a tightly closed container.

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# 16076-27-0: 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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 215 - 216 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: C3HBrCl2N2
Molecular Weight: 216

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acids, oxidizing agents, reducing agents, acid chlorides, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 16076-27-0: NI3517500 LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-4,5-dichloro-1H-imidazole - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 16076-27-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16076-27-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16076-27-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
化合物详情(旧版)

SMILES

BrC1=NC(Cl)=C(Cl)N1

产品用途
用作药物中间体
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