3-(1H-咪唑-4-基)吡啶

3-(1H-咪唑-4-基)吡啶 基本信息
CAS号 51746-85-1 分子式 C8H7N3
分子量 145.16100 精确质量  145.06400
PSA  41.57000 LogP  1.47170

基本信息 展开↓

CAS号:
51746-85-1
3D弹球模型:
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分子式:
C8H7N3
分子量:
145.16100
中文名称:
3-(1H-咪唑-4-基)吡啶
英文名称:
3-(5-Imidazolyl)pyridine
中文别名:
3-(1H-咪唑-4-基)吡啶;
3-(1H-咪唑)吡啶
英文别名:
3-(5-Imidazolyl)pyridine;
3-(1H-imidazol-5-yl)pyridine;
3-(1H-Imidazol-5-yl)pyridine;
3-(1H-Imidazol-4-yl)pyridine
精确分子量/精确质量:
145.06400
极性分子表面积/PSA:
41.57000
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:
The Key: YFOKBFRTGLSZLU-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
淡黄色固体
密度:
1.214 g/cm3
熔点:
117-118ºC
沸点:
422.4ºC at 760 mmHg
闪点:
214.5ºC
折射率:
1.61

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 93103-29-8

    4-pyridin-3-yl-1,3-dihydroimidazole-2-thione

  • ~92%

  • 51746-85-1

    3-(1H-咪唑-4-基)吡啶

  • 17694-68-7

    3-(2-溴乙酰基)吡啶氢溴酸盐

  • +

  • 77287-34-4

    甲亚胺酸

  • ~66%

  • 51746-85-1

    3-(1H-咪唑-4-基)吡啶

  • 254430-69-8

    254430-69-8

  • +

  • 77287-34-4

    甲亚胺酸

  • ~51%

  • 51746-85-1

    3-(1H-咪唑-4-基)吡啶

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT4396500
CHEMICAL NAME :
Pyridine, 3-(1H-imidazol-4-yl)-
CAS REGISTRY NUMBER :
51746-85-1
BEILSTEIN REFERENCE NO. :
0003724
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-N3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - excitement Lungs, Thorax, or Respiration - other changes
REFERENCE :
QJPPAL Quarterly Journal of Pharmacy & Pharmacology. (London, UK) V.2-21, 1929-48. For publisher information, see JPPMAB. Volume(issue)/page/year: 12,260,1939

MSDS 展开↓

Name: 3-(1H-Imidazol-4-yl)Pyridine Material Safety Data Sheet
Synonym: 4-(3-Pyridyl)Imidazole
CAS: 51746-85-1
Section 1 - Chemical Product   MSDS Name:3-(1H-Imidazol-4-yl)Pyridine Material Safety Data Sheet
Synonym:4-(3-Pyridyl)Imidazole

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
51746-85-1 3-(1H-Imidazol-4-yl)Pyridine ca. 100 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. 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:

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
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# 51746-85-1: 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: Liquid
Color: Not available.
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: C8H7N3
Molecular Weight: 145.16

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not currently available.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 51746-85-1: UT4396500 LD50/LC50:
Not available.
Carcinogenicity:
3-(1H-Imidazol-4-yl)Pyridine - 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: 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 51746-85-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51746-85-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51746-85-1 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:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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, 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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