甲基膦酞二氯

甲基膦酞二氯 基本信息
CAS号 676-97-1 分子式 CH3Cl2OP
分子量 132.91400 精确质量  131.93000
PSA  26.88000 LogP  2.28690

基本信息 展开↓

CAS号:
676-97-1
3D弹球模型:
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分子式:
CH3Cl2OP
分子量:
132.91400
中文名称:
甲基膦酞二氯
英文名称:
Methylphosphonic Dichloride
中文别名:
甲基膦酞二氯;
二氯甲基膦
英文别名:
Methylphosphonic Dichloride;
dichlorophosphorylmethane
精确分子量/精确质量:
131.93000
极性分子表面积/PSA:
26.88000
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:
MFCD00002071
EINECS:
211-634-4
PubChem:
24853672
BRN:
1071305
InChI:
InChI=1/CH3Cl2OP/c1-5(2,3)4/h1H3

生产制备方法及用途展开↓

制备方法


由三氯化磷与一氯甲烷和三氯化铝混合,反应得到粗品,蒸馏除去多余的氯甲烷,得到半固体状物,用铝-氯化钾处理,蒸馏后得到成品。

合成制备方法


由三氯化磷与一氯甲烷和三氯化铝混合,反应得到粗品,蒸馏除去多余的氯甲烷,得到半固体状物,用铝-氯化钾处理,蒸馏后得到成品。

用途简介


是除草剂草铵膦和含膦阻燃剂的重要中间体。可作双官能团磷酰胺偶联试剂,也可制备含磷维悌希试剂,与其他烯烃类单体制备含磷共聚物。

用途


是除草剂草铵膦和含膦阻燃剂的重要中间体。可作双官能团磷酰胺偶联试剂,也可制备含磷维悌希试剂,与其他烯烃类单体制备含磷共聚物。

 

物化性质展开↓

外观与性状:
固体
密度:
1.46
熔点:
32-60ºC
沸点:
59ºC (11 torr)
闪点:
>110ºC
折射率:
1.419
存储条件/存储方法:

存放在充有干爽惰性气体的容器内,并放在阴凉,干爽处。储存的地方必须上锁,钥匙必须交给技术专家和他们的助手保管。避免湿气和水分。储存的地方远离氧化剂,切勿与氧化和酸性材料存放在一起。

稳定性相关:

远离氧化物,水分,碱,活性金属。

其它信息:

1.       性状:腐蚀性份额无色低熔点固体。

2.       密度(g/mL,25/4):1.468

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):31-34

5.       沸点(ºC,常压):163

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):>110

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:与水反应强烈。

安全信息展开↓

包装等级:
I
风险类别:
6.1
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R14;R26;R34
安全说明:
S26-S28-S36/37/39-S45
RTECS号:
TA1840000
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。
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:
T+

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TA1840000
CHEMICAL NAME :
Phosphonic dichloride, methyl-
CAS REGISTRY NUMBER :
676-97-1
BEILSTEIN REFERENCE NO. :
1071305
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C-H3-Cl2-O-P
MOLECULAR WEIGHT :
132.91

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
26 ppm/4H
TOXIC EFFECTS :
Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 25,470,1964
毒理学数据:

1、急性毒性:大鼠(吸入)LC50 26ppm/4H

由于食盐的LD503,000 mg/kgBPA的急性毒性程度与食盐同。

生态数据:

对水稍微有危害的,不要让未稀释或者大量产品接触地下水,水道或者污水系统。若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: Methylphosphonic dichloride 98% Material Safety Data Sheet
Synonym:
CAS: 676-97-1
Section 1 - Chemical Product   MSDS Name:Methylphosphonic dichloride 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
676-97-1 Methylphosphonic dichloride 98% 211-634-4
Hazard Symbols: T
Risk Phrases: 23/24/25 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed. Causes burns.The toxicological properties of this material have not been fully investigated.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns. Toxic in contact with skin.
Ingestion:
Poison by ingestion. Causes gastrointestinal tract burns. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause irritation of the respiratory tract with burning pain in the nose and throat, coughing, wheezing, shortness of breath and pulmonary edema. Causes chemical burns to the respiratory tract.
Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
Toxic if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with 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.
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. Not flammable, but reacts with most metals to form flammable hydrogen gas.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. DO NOT USE WATER!

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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Handle under an inert atmosphere. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Keep under a nitrogen blanket. Corrosives area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 676-97-1: 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: Solid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: 760 mm Hg @ 163
Viscosity: Not available.
Boiling Point: 163 deg C @ 760.00mm Hg
Freezing/Melting Point: 35 - 37 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: 1.4680g/cm3
Molecular Formula: CH3Cl2OP
Molecular Weight: 132.91

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong bases - strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, phosphine, carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 676-97-1: TA1840000 LD50/LC50:
CAS# 676-97-1: Inhalation, rat: LC50 = 26 ppm/4H.
Carcinogenicity:
Methylphosphonic dichloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: TOXIC SOLID, CORROSIVE, ORGANIC, N.O.S.*
Hazard Class: 6.1 (8)
UN Number: 2928
Packing Group: I
IMO
Shipping Name: TOXIC SOLID, CORROSIVE, ORGANIC, N.O.S.
Hazard Class: 6.1 (8)
UN Number: 2928
Packing Group: I
RID/ADR
Shipping Name: TOXIC SOLID, CORROSIVE, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2928
Packing group: I

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
R 34 Causes burns.
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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 676-97-1: No information available.
Canada
CAS# 676-97-1 is listed on Canada's NDSL List.
CAS# 676-97-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 676-97-1 is listed on the TSCA inventory.


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:23.25

2、   摩尔体积m3/mol91.9

3、   等张比容90.2K220.9

4、   表面张力dyne/cm33.3

5、   介电常数:

6、   偶极距10-24cm3

7、   极化率:9.21

 

计算化学数据


1.疏水参数计算参考值(XlogP):1

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17.1

7.重原子数量:5

8.表面电荷:0

9.复杂度:64

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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