1,12-二氯十二烷

1,12-二氯十二烷 基本信息
CAS号 3922-28-9 分子式 C12H24Cl2
分子量 239.22500 精确质量  238.12600
PSA  0.00000 LogP  5.36500

基本信息 展开↓

CAS号:
3922-28-9
3D弹球模型:
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分子式:
C12H24Cl2
分子量:
239.22500
中文名称:
1,12-二氯十二烷
英文名称:
1,12-DICHLORODODECANE
中文别名:
1,12-二氯十二烷;
Dodecamethylene Dichloride 1,12-Dichlorododecane 1,12-Dichlorododecane, 98+%
英文别名:
1,12-DICHLORODODECANE;
1,6-dichlorododecane;
1,12-Dichlor-dodecan;
DODECAMETHYLENE DICHLORIDE;
1,12-dichloro-dodecane
精确分子量/精确质量:
238.12600
极性分子表面积/PSA:
0.00000
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:
MFCD00039368
EINECS:
223-492-0
InChI:
The Key: RNXPZVYZVHJVHM-UHFFFAOYSA-N

物化性质展开↓

密度:
0.95
熔点:
28-30ºC(lit.)
沸点:
170-172ºC10 mm Hg(lit.)
闪点:
>230 °F
折射率:
1.452
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。禁止存放在金属容器内。

稳定性相关:

常温常压下稳定,避免与不相容材料接触。
与强氧化剂反应。

其它信息:

1.      性状:块状有特殊气味的固体

2.      密度(g/mL,25):0.95

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):28-30

5.      沸点(ºC,常压):299

6.      沸点(ºC,10mmHg):170-172

7.      折射率(n20/D):未确定

8.      闪点(ºC):168

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):210

11.   蒸气压(mPa,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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↓

海关代码:
2903199000
安全标志:
S37:使用合适的防护手套。
危险标志:
Xi

合成路线查看所有的合成路线

  • 112-40-3

    正十二烷

  • 2350-11-0

    2-Chlorododecane

  • +

  • 3922-28-9

    1,12-二氯十二烷

  • +

  • 75121-23-2

    1,2-二氯十二烷

  • +

  • 2350-12-1

    3-chlorododecane

  • +

  • 112-52-7

    1-氯十二烷

  • 34683-73-3

    1-氯-6-碘己烷

  • 821-41-0

    5-己烯-1-醇

  • +

  • 544-10-5

    1-氯己烷

  • +

  • 928-89-2

    6-氯-1-己烯

  • +

  • 3922-28-9

    1,12-二氯十二烷

  • +

  • 111-27-3

    正己醇

  • 6294-17-3

    1-溴-6-氯己烷

  • 821-41-0

    5-己烯-1-醇

  • +

  • 544-10-5

    1-氯己烷

  • +

  • 928-89-2

    6-氯-1-己烯

  • +

  • 3922-28-9

    1,12-二氯十二烷

  • +

  • 111-27-3

    正己醇

MSDS 展开↓

Name: 1 12-Dichlorododecane 98+% Material Safety Data Sheet
Synonym: None Known
CAS: 3922-28-9
Section 1 - Chemical Product   MSDS Name:1 12-Dichlorododecane 98+% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3922-28-9 1,12-Dichlorododecane 98+% 223-492-0
Hazard Symbols: XI
Risk Phrases: 38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
Causes 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. 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. Dusts at sufficient concentrations can form explosive mixtures with air. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Will burn if involved in a fire.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. 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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. 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. Do not store in metal containers.

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# 3922-28-9: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: after melting, clear colorless
Odor: Characteristic.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: mPas 40 deg C
Boiling Point: 299 deg C @ 760.00mm Hg
Freezing/Melting Point: 29 deg C
Autoignition Temperature: 210 deg C ( 410.00 deg F)
Flash Point: 168 deg C ( 334.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 0.03 G/L (20C)
Specific Gravity/Density: .9530g/cm3
Molecular Formula: C12H24Cl2
Molecular Weight: 239.23

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:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3922-28-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,12-Dichlorododecane - 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: 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: XI
Risk Phrases:
R 38 Irritating to skin.
Safety Phrases:
S 37 Wear suitable gloves.
WGK (Water Danger/Protection)
CAS# 3922-28-9: 2
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3922-28-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3922-28-9 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:2903199000

概述:
2903199000 其他无环烃的饱和氯化衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2903199000 other saturated chlorinated derivatives of acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):6.1

2.氢键供体数量:0

3.氢键受体数量:0

4.可旋转化学键数量:11

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:14

8.表面电荷:0

9.复杂度:82.3

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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