1,10-二碘癸烷

1,10-二碘癸烷 基本信息
CAS号 16355-92-3 分子式 C10H20I2
分子量 394.07500 精确质量  393.96500
PSA  0.00000 LogP  4.97720

基本信息 展开↓

CAS号:
16355-92-3
3D弹球模型:
立即前往扯扯看
分子式:
C10H20I2
分子量:
394.07500
中文名称:
1,10-二碘癸烷
英文名称:
1,10-Diiododecane
中文别名:
1,10-二碘癸烷;
双碘癸烷
英文别名:
1,10-Diiododecane;
Decamethylene Diiodide;
1,10-DIIODODECANE
精确分子量/精确质量:
393.96500
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:
MFCD00001086
EINECS:
240-415-6
BRN:
1738614
InChI:
InChI=1/C10H20I2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2

生产制备方法及用途展开↓

制备方法


由癸二醇经氯化、置换而得。

用途简介


主要用作医药中间体,也用于其它有机合成。

物化性质展开↓

密度:
2,35 g/cm3
熔点:
33-35 °C(lit.)
沸点:
197-200 °C12 mm Hg(lit.)
闪点:
>230 °F
折射率:
1.555
蒸汽压:
9.34E-05mmHg at 25°C
存储条件/存储方法:

 

常温密闭避光,通风干燥

稳定性相关:

常温常压下稳定

避免的物料: 氧化物 光

其它信息:

1. 性状:未确定

2. 密度(g/mL,25/4):2,35g/cm3
3. 相对蒸汽密度(g/mL,空气=1未确定
4. 熔点(ºC):33-35 °C(lit.)
5. 沸点(ºC,常压):197-200 °C12 mmHg(lit.)

6. 沸点(ºC,5.2kPa): 未确定

7. 折射率: 未确定

8. 闪点(ºC): 230 °F
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:
III
风险类别:
6.1(b)
海关代码:
2903399090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S37/39
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 2162-98-3

    1,10-二氯癸烷

  • ~90%

  • 16355-92-3

    1,10-二碘癸烷

  • 112-47-0

    1,10-癸二醇

  • ~90%

  • 16355-92-3

    1,10-二碘癸烷

  • 111-20-6

    癸二酸

  • ~58%

  • 16355-92-3

    1,10-二碘癸烷

化学图谱

  1. 1,10-二碘癸烷红外图谱(IR1)

  2. 1,10-二碘癸烷质谱(MS)

  3. 1,10-二碘癸烷核磁图(13CNMR)

  4. 1,10-二碘癸烷核磁图(1HNMR)

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毒理性展开↓

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

MSDS 展开↓

Name: 1 10-Diiododecane 97% Material Safety Data Sheet
Synonym:
CAS: 16355-92-3
Section 1 - Chemical Product   MSDS Name:1 10-Diiododecane 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
16355-92-3 1,10-Diiododecane 97 240-415-6
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Light sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. No information regarding eye irritation and other potential effects was found.
Skin:
May cause skin irritation. No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
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.
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 appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. 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# 16355-92-3: 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: Crystals
Color: off-white crystal to orange liquid - after melting,
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 197.0 - 200.0 deg C @ 12.00mm
Freezing/Melting Point: 28.00 - 32.00 deg C
Autoignition Temperature: Not available.
Flash Point: 110 deg C ( 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H20I2
Molecular Weight: 394.07

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen iodide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 16355-92-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,10-Diiododecane - 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.
WGK (Water Danger/Protection)
CAS# 16355-92-3: No information available.
Canada
CAS# 16355-92-3 is listed on Canada's NDSL List.
CAS# 16355-92-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16355-92-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2903399090

概述:
2903399090. 其他无环烃的氟化、溴化或碘化衍生物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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:
2903399090. brominated,fluorinated or iodinated derivatives of acyclic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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:74.31

2、  摩尔体积(m3/mol):231.2

3、  等张比容(90.2K):577.9

4、  表面张力(dyne/cm):39.0

5、  极化率10-24cm3):29.46

计算化学数据


1.疏水参数计算参考值(XlogP):无

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:9

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:12

8.表面电荷:0

9.复杂度:64.2

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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