(-)-1,2-双[(2R,5R)-2,5-二甲基磷]苯

(-)-1,2-双[(2R,5R)-2,5-二甲基磷]苯 基本信息
CAS号 147253-67-6 分子式 C18H28P2
分子量 306.36200 精确质量  306.16700
PSA  27.18000 LogP  5.04260

基本信息 展开↓

CAS号:
147253-67-6
3D弹球模型:
立即前往扯扯看
分子式:
C18H28P2
分子量:
306.36200
中文名称:
(-)-1,2-双[(2R,5R)-2,5-二甲基磷]苯
英文名称:
(?)-1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzene
中文别名:
(-)-1,2-双[(2R,5R)-2,5-二甲基磷]苯;
(-)-1,2-双((2R,5R)-2,5-二甲基磷)苯
英文别名:
(?)-1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzene;
1,2-Bis[(2R,5R)-2,5-dimethyl-1-phospholanyl]benzene;
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane
精确分子量/精确质量:
306.16700
极性分子表面积/PSA:
27.18000
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:
MFCD00142336
PubChem:
24848835
BRN:
4810602
InChI:
The Key: AJNZWRKTWQLAJK-VGWMRTNUSA-N

物化性质展开↓

熔点:
66-76ºC
沸点:
415ºC at 760 mmHg
闪点:
216.3ºC
蒸汽压:
1.03E-06mmHg at 25°C
其它信息:

1.      性状:未确定

2.      密度(g/mL,20):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):66-76

5.      沸点(ºC,常压):未确定

6.      沸点(ºC  3mmHg):未确定

7.      折射率:未确定

8.      闪点(ºF):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):不适用的

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↓

安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 1380079-15-1

    1380079-15-1

  • ~95%

  • 147253-67-6

    (-)-1,2-双[(2R,5R)-2,5-二甲基磷]苯

  • 80510-04-9

    1,2-二(膦酰基)苯

  • +

  • 136779-29-8

    (4R,7R)-4,7-dimethyl-[1,3,2]dioxathiepane 2,2-dioxide

  • 147253-67-6

    (-)-1,2-双[(2R,5R)-2,5-二甲基磷]苯

  • 17299-07-9

    (2R,5R)-2,5-己二醇

  • 147253-67-6

    (-)-1,2-双[(2R,5R)-2,5-二甲基磷]苯

MSDS 展开↓

Name: (-)-1 2-Bis((2R 5R)-2 5-dimethylphospholano)benzene Material Safety Data Sheet
Synonym: (R,R)-Me-DUPHO
CAS: 147253-67-6
Section 1 - Chemical Product   MSDS Name:(-)-1 2-Bis((2R 5R)-2 5-dimethylphospholano)benzene Material Safety Data Sheet
Synonym:(R,R)-Me-DUPHO

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
147253-67-6 (-)-1,2-Bis((2R,5R)-2,5-dimethylphosph unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Air sensitive.Moisture sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
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.
Store under nitrogen.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 147253-67-6: 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: Crystals
Color: 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C18H28P2
Molecular Weight: 306.37

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, exposure to air, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, halogens.
Hazardous Decomposition Products:
Carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 147253-67-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(-)-1,2-Bis((2R,5R)-2,5-dimethylphospholano)benzene - 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
No information available.

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# 147253-67-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 147253-67-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 147253-67-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:306.166623 Da

8、标称质量:306 Da

9、平均质量:306.3624 Da

计算化学数据


1.疏水参数计算参考值(XlogP):3.8

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:2

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:20

8.表面电荷:0

9.复杂度:277

10.同位素原子数量:0

11.确定原子立构中心数量:4

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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