3-溴-4-氯吡啶

3-溴-4-氯吡啶 基本信息
CAS号 36953-42-1 分子式 C5H3BrClN
分子量 192.44100 精确质量 　190.91400
PSA 　12.89000 LogP 　2.49750
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
36953-42-1
3D弹球模型：
立即前往扯扯看
分子式：
C5H3BrClN
分子量：
192.44100
中文名称：
3-溴-4-氯吡啶
英文名称：
3-Bromo-4-chloropyridine
中文别名：
3-溴-4-氯吡啶;
3-bromopyridin-4(1H)-one;
3-Bromo-4-hydroxypyridine;
2-Isopropylimidazole;
7-Amino-3-nor-3-cephem-4-carboxylic acid;
7-ANCA;
7-氨基-3-无-3-头孢环-4-羧酸;
3-(4-METHYLZYLIDENE)-BRONAN-2-ONE;
3-(4-METHYLZYLIDENE)CAMPHOR;
(3e)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one;
EUSOLEX(R) 6300;
4-Methylbenzylidencamphor;
3-(4-mythylbenzylidene)-d-camphor;
(3Z)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one;
(1S,3E,4S)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one;
(1R,3E,4R)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one;
1,7,7-trimethyl-3-(p-tolylmethylene)norbornan-2-one;
3-(4-Methylbenzylidene)-DL-camphor;
3-(4-Methylbenzylidene)-camphor;
HSDB 3583;
Kaminax;
Lukadin;
Mikavir;
NSC 177001;
O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-6))-N(sup 3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine;
Pierami;
UNII-84319SGC3C;
D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-
英文别名：
3-Bromo-4-chloropyridine;
5-bromo-4-chloropyridine;
4-Chlor-3-brom-pyridin;
3-Brom-4-chlor-pyridin;
bromo-3 chloro-4 pyridine;
3-BroMo-4-chloridepyridine;
4-CHLORO-3-BROMOPYRIDINE;
3-bromo-4-chloro-pyridine;
3-BroMo-4-chloropyridine 1GR
精确分子量/精确质量：
190.91400
极性分子表面积/PSA：
12.89000
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：
MFCD00234008
EINECS：
-0
InChI：
InChI=1/C5H3BrClN/c6-4-3-8-2-1-5(4)7/h1-3H

物化性质展开↓

外观与性状：
淡黄色针状
密度：
1.736 g/cm3
沸点：
207.3ºC at 760 mmHg
闪点：
79.2°C
折射率：
1.581
存储条件/存储方法：

 

 密闭于阴凉干燥环境中

稳定性相关：

 

遵照规定使用和储存则不会分解。

其它信息：

1.       性状：淡黄色液体

2.       密度（g/mL,25/4℃）：无可用

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：无可用

5.       沸点（ºC,常压）：无可用

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：无可用

8.       闪点（ºC）：无可用

9.       比旋光度（º）：无可用

10.    自燃点或引燃温度（ºC）：无可用

11.    蒸气压（kPa,25ºC）：无可用

12.    饱和蒸气压（kPa,60ºC）：无可用

13.    燃烧热（KJ/mol）：无可用

14.    临界温度（ºC）：无可用

15.    临界压力（KPa）：无可用

16.    油水（辛醇/水）分配系数的对数值：无可用

17.    爆炸上限（%,V/V）：无可用

18.    爆炸下限（%,V/V）：无可用

19.    溶解性：无可用

安全信息展开↓

海关代码：
2933399090
危险类别码：
R20/22;R36/37/38
安全说明：
S22-S26-S36/37/39
安全标志：
S22:不要吸入粉尘。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：
Xn:Harmful;

合成路线查看所有的合成路线

  • 31270-80-1

    4-氯呋喃并[3,2-c]吡啶

  • →

    ~96%

  • 36953-42-1

    3-溴-4-氯吡啶

  • +

  • 220939-72-0

    3-溴-4-氯呋喃并[3,2-c]吡啶

  • 1678-49-5

    3-溴-4-硝基吡啶-N-氧化物

  • →

    ~77%

  • 36953-42-1

    3-溴-4-氯吡啶

  • 13626-17-0

    3,5-二溴-4-氯吡啶

  • →

    ~10%

  • 36953-42-1

    3-溴-4-氯吡啶

毒理性展开↓

生态数据：

 

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: 3-Bromo-4-chloropyridine Material Safety Data Sheet
Synonym:
CAS: 36953-42-1
Section 1 - Chemical Product   MSDS Name:3-Bromo-4-chloropyridine Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
36953-42-1 3-Bromo-4-chloropyridine unlisted
Hazard Symbols: XN
Risk Phrases: 20/22 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation and if swallowed. 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:
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# 36953-42-1: 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: Powder
Color: off-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: C5H3BrClN
Molecular Weight: 192.44
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 36953-42-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Bromo-4-chloropyridine - 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: XN
Risk Phrases:
R 20/22 Harmful by inhalation and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
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# 36953-42-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 36953-42-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 36953-42-1 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：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
摘要/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%

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：36.92

2、   摩尔体积（m3/mol）：110.7

3、   等张比容（90.2K）：287.7

4、   表面张力（dyne/cm）：45.4

5、   极化率（10-24cm3）：14.63

计算化学数据

1.疏水参数计算参考值（XlogP）:2.2

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积12.9

7.重原子数量:8

8.表面电荷:0

9.复杂度:78.8

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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