6-氯-3,4-亚甲基二氧苄氯

6-氯-3,4-亚甲基二氧苄氯 基本信息
CAS号 23468-31-7 分子式 C8H6Cl2O2
分子量 205.03800 精确质量 　203.97400
PSA 　18.46000 LogP 　2.80750
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目录
基本信息 制备方法与用途 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：
23468-31-7
3D弹球模型：
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分子式：
C8H6Cl2O2
分子量：
205.03800
中文名称：
6-氯-3,4-亚甲基二氧苄氯
英文名称：
5-chloro-6-(chloromethyl)-1,3-benzodioxole
中文别名：
6-氯-3,4-亚甲基二氧苄氯;
6-氯胡椒氯
英文别名：
5-chloro-6-(chloromethyl)-1,3-benzodioxole;
6-Chloropiperonyl chloride;
6-chloro-5-(chloromethyl)-2H-benzo[d]1,3-dioxolene;
1,3-Benzodioxole,5-chloro-6-(chloromethyl);
6-chloropiperonyl chloride;
5-Chlor-6-chlormethyl-benzo[1,3]dioxol;
5-chloro-6-(chloromethyl)benzo[d][1,3]dioxole;
6-chloro-1,3-benzodioxol-5-ylmethyl chloride;
5-chloro-6-chloromethyl-benzo[1,3]dioxole
精确分子量/精确质量：
203.97400
极性分子表面积/PSA：
18.46000
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：
MFCD00005822
EINECS：
245-678-0
PubChem：
24848555
BRN：
150802
InChI：
The Key: APJKOQPCHGXQBI-UHFFFAOYSA-N

生产制备方法及用途展开↓

用途

 

物化性质展开↓

密度：
1.461g/cm3
熔点：
64-66ºC
沸点：
293.5ºC at 760mmHg
闪点：
123.9ºC
折射率：
1.586
蒸汽压：
0.00301mmHg at 25°C
存储条件/存储方法：

保持贮藏器密封

放入紧密的贮藏器内，储存在阴凉，干燥的地方

稳定性相关：

稳定。

如果遵照规格使用和储存则不会分解

避免接触氧化物，碱

其它信息：

1.       性状：浅棕色或白色晶体

2.       密度（g/mL,25/4℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：62-66

5.       沸点（ºC,60mmhg）：未确定

6.       沸点（ºC,5.2kPa）：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,25ºC）：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（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↓

包装等级：
II
海关代码：
2932999099
危险类别码：
R34
安全说明：
S25-S28-S36/37/39
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
S28:接触皮肤之后，立即使用大量皂液洗涤。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:
危险标志：
C:Corrosive;

合成路线查看所有的合成路线

  • 15952-61-1

    6-氯-3,4-亚甲基二氧苯甲醛

  • →

  • 23468-31-7

    6-氯-3,4-亚甲基二氧苄氯

  • 2591-25-5

    6-氯-3,4-亚甲基二氧苄乙醇

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  • 23468-31-7

    6-氯-3,4-亚甲基二氧苄氯

毒理性展开↓

毒理学数据：

在眼睛上面：强烈的腐蚀性影响。

在皮肤上面：在皮肤和粘膜上造成腐蚀性影响。

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Name: 6-Chloropiperonyl Chloride 99+% Material Safety Data Sheet
Synonym: None
CAS: 23468-31-7
Section 1 - Chemical Product   MSDS Name:6-Chloropiperonyl Chloride 99+% Material Safety Data Sheet
Synonym:None
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
23468-31-7 6-Chloropiperonyl Chloride >99 245-678-0
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Corrosive.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation.
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:
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:
Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Keep refrigerated. (Store below 4C/39F.)
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# 23468-31-7: 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 minimize contact with skin.
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: Crystalline powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 64-66C
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: C8H6Cl2O2
Molecular Weight: 205.04
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Acids, strong oxidizing agents.
Hazardous Decomposition Products:
Chlorine, carbon monoxide, carbon dioxide, chloride fumes.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 23468-31-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Chloropiperonyl Chloride - 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: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 23468-31-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 23468-31-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 23468-31-7 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：2932999099

概述：
2932999099. 其他仅含氧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
摘要/Summary：
2932999099. other heterocyclic compounds with oxygen 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：47.07

2、   摩尔体积（m3/mol）：140.2

3、   等张比容(90.2K)：373.7

4、   表面张力(dyne/cm)：50.4

5、   极化率(10-24cm3)：18.66

 

计算化学数据

1.疏水参数计算参考值（XlogP）:2.8

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积18.5

7.重原子数量:12

8.表面电荷:0

9.复杂度:165

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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