2-氨基-3-硝基-6-氯吡啶

2-氨基-3-硝基-6-氯吡啶 基本信息
CAS号 27048-04-0 分子式 C5H4ClN3O2
分子量 173.55700 精确质量  172.99900
PSA  84.73000 LogP  2.32980

基本信息 展开↓

CAS号:
27048-04-0
3D弹球模型:
立即前往扯扯看
分子式:
C5H4ClN3O2
分子量:
173.55700
中文名称:
2-氨基-3-硝基-6-氯吡啶
英文名称:
2-Amino-6-chloro-3-nitropyridine
中文别名:
2-氨基-3-硝基-6-氯吡啶;
2-氨基-6-氯-3-硝基吡啶;
6-氯-3-硝基吡啶-2-胺
英文别名:
2-Amino-6-chloro-3-nitropyridine;
2-Amino-3-nitro-6-chloropyridi;
2-Amino-6-chlor-3-nitropyridin;
6-chloro-3-nitro-pyridin-2-ylamine;
6-CHLORO-3-NITROPYRIDIN-2-AMINE;
2-amino-3-nitro-6-chloropyridine;
2-Amino-3-nitro-6-chloropyridine;
6-chloro-3-nitro-pyridine-2-ylamine;
6-Chloro-3-nitropyridin-2-amine;
2-Amino-6-chloro-3-nitrop...;
6-Chloro-3-nitro-2-pyridinamine;
2-amino-3-nitrochloropyridine;
6-Chloro-3-nitro-2-pyridylamine
精确分子量/精确质量:
172.99900
极性分子表面积/PSA:
84.73000
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。
贝尔斯坦号/MDL:
MFCD00044350
EINECS:
248-188-5
InChI:
The Key: WERABQRUGJIMKQ-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


泰妥拉唑和盐酸氟吡汀的中间体。

用途简介


物化性质展开↓

外观与性状:
黄色粉末
密度:
1.596g/cm3
熔点:
195-196
沸点:
339.9ºC at 760mmHg
闪点:
159.4ºC
其它信息:

1.性状:黄色结晶粉末

2.熔点(℃):171-172

3.溶解性:不溶于热水,微溶于醇.醚。

安全信息展开↓

海关代码:
2933990090
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 16013-85-7

    2,6-二氯-3-硝基吡啶

  • ~88%

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    2-氨基-3-硝基-6-氯吡啶

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    2,6-二氯-3-硝基吡啶

  • ~63%

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    2-氨基-3-硝基-6-氯吡啶

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    2-氯-5-硝基吡啶

  • ~57%

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    4,6-diamino-2-chloro-5-nitropyridine

  • +

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    2-氨基-3-硝基-6-氯吡啶

MSDS 展开↓

Name: 2-Amino-6-Chloro-3-Nitropyridine 97% Material Safety Data Sheet
Synonym: None
CAS: 27048-04-0
Section 1 - Chemical Product   MSDS Name:2-Amino-6-Chloro-3-Nitropyridine 97% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
27048-04-0 2-Amino-6-Chloro-3-Nitropyridine 97 248-188-5
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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable 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. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse.
Storage:
Keep container closed when not in use. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 27048-04-0: 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:
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: yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 188.00 - 193.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H4ClN3O2
Molecular Weight: 173.56

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 27048-04-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-6-Chloro-3-Nitropyridine - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 27048-04-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 27048-04-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 27048-04-0 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%

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:40.02

2、  摩尔体积(cm3/mol):108.7

3、  等张比容(90.2K):318.6

4、  表面张力(dyne/cm):73.7

5、  极化率(10-24cm3):15.86

计算化学数据


1.疏水参数计算参考值(XlogP):1.8

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积84.7

7.重原子数量:11

8.表面电荷:0

9.复杂度:160

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:1

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