3-氯-5-(三氟甲基)吡啶-2-基肼

3-氯-5-(三氟甲基)吡啶-2-基肼 基本信息
CAS号 89570-82-1 分子式 C6H5ClF3N3
分子量 211.57200 精确质量 　211.01200
PSA 　50.94000 LogP 　2.81270
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
89570-82-1
3D弹球模型：
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分子式：
C6H5ClF3N3
分子量：
211.57200
中文名称：
3-氯-5-(三氟甲基)吡啶-2-基肼
英文名称：
[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazine
中文别名：
3-氯-5-(三氟甲基)吡啶-2-基肼;
3-氯-5-(三氟甲基)吡啶-基肼
英文别名：
[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazine;
3-chloro-2-hydrazinyl-5-(trifluoromethyl)pyridine;
3-chloro-5-(trifluoromethyl)-2-pyridylhydrazine;
Pyridine,3-chloro-2-hydrazinyl-5-(trifluoromethyl);
(3-chloro-5-trifluoromethyl-pyrid-2-yl)-hydrazine;
3-chloro-2-hydrazino-5-(trifluoromethyl)pyridine;
(3-chloro-5-trifluoromethylpyridin-2-yl)hydrazine;
3-chloro-5-trifluoromethyl-2-hydrazinopyridine
精确分子量/精确质量：
211.01200
极性分子表面积/PSA：
50.94000
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：
MFCD00067865
InChI：
The Key: KHFKSHYCVQZAQP-UHFFFAOYSA-N

物化性质展开↓

密度：
1.57 g/cm3
熔点：
90 °C
沸点：
238.7ºC at 760 mmHg
闪点：
98.1ºC
折射率：
1.547
其它信息：

1.      性状：未确定

2.      密度（g/mL25ºC）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：90

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC7mmHg）：未确定

7.      折射率：未确定

8.      闪点（ºC）：未确定

9.      比旋光度（º）：未确定

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（kPa,）：未确定

12.   饱和蒸气压（kPa,60ºC）：未确定

13.   燃烧热（KJ/mol）：未确定

14.   临界温度（ºC）：未确定

15.   临界压力（KPa）：未确定

16.   油水（正辛醇/水）分配系数的对数值：未确定

17.   爆炸上限（%,V/V）：未确定

18.   爆炸下限（%,V/V）：未确定

19.   溶解性：未确定

安全信息展开↓

海关代码：
2933990090
危险类别码：
R20/21/22
安全说明：
S20/21-S36/37/39
安全标志：
:
危险标志：
Xi: Irritant;Xn: Harmful;

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MSDS 展开↓

Name: 1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl] hydrazine 95+% Material Safety Data Sheet
Synonym:
CAS: 89570-82-1
Section 1 - Chemical Product   MSDS Name:1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl] hydrazine 95+% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
89570-82-1 1-[3-Chloro-5-(trifluoromethyl)-2-pyri 95+% 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:
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# 89570-82-1: 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: 90 - 92 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H5ClF3N3
Molecular Weight: 212
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 89570-82-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl] hydrazine - 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
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# 89570-82-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 89570-82-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 89570-82-1 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%

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：42.73

2、   摩尔体积（m3/mol）：134.7

3、   等张比容(90.2K)：342.6

4、   表面张力(dyne/cm)：41.8

5、   极化率(10-24cm3)：16.93

计算化学数据

1.疏水参数计算参考值（XlogP）:1.9

2.氢键供体数量:2

3.氢键受体数量:6

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积50.9

7.重原子数量:13

8.表面电荷:0

9.复杂度:175

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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