丙基膦酸

丙基膦酸 基本信息
CAS号 4672-38-2 分子式 C3H9O3P
分子量 124.07600 精确质量  124.02900
PSA  67.34000 LogP  0.57410

基本信息 展开↓

CAS号:
4672-38-2
3D弹球模型:
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分子式:
C3H9O3P
分子量:
124.07600
中文名称:
丙基膦酸
英文名称:
propylphosphonic acid
中文别名:
丙基膦酸;
丙烷-1-磷酸;
丙基磷酸
英文别名:
propylphosphonic acid;
propylphosphoric acid;
propanephosphonic acid;
Propane-1-phosphonic acid;
1-propanephosphonic acid;
Propyl-phosphonic acid
精确分子量/精确质量:
124.02900
极性分子表面积/PSA:
67.34000
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:
MFCD00012294
EINECS:
225-121-8
PubChem:
24858448
InChI:
The Key: NSETWVJZUWGCKE-UHFFFAOYSA-N

物化性质展开↓

熔点:
67-71 °C(lit.)
沸点:
265.3ºC at 760 mmHg
闪点:
114.3ºC
存储条件/存储方法:

 避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定,熔点:133-136°C

其它信息:

1.       性状:白色粉末

2.       密度(g/mL25 ºC):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):133-136

5.       沸点(ºC,常压):不确定

6.       沸点(ºC,21mmHg):不确定

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(ºC=1, H2O):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

安全信息展开↓

包装等级:
III
风险类别:
8
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
34
安全说明:
S26-S36/37/39-S45
RTECS号:
TA0420000
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:
C

合成路线查看所有的合成路线

  • 117071-28-0

    117071-28-0

  • 4672-38-2

    丙基膦酸

  • 75779-78-1

    propylphosphinic acid

  • 4672-38-2

    丙基膦酸

  • 106-94-5

    溴代正丙烷

  • 4672-38-2

    丙基膦酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TA0420000
CHEMICAL NAME :
Phosphonic acid, propyl-
CAS REGISTRY NUMBER :
4672-38-2
BEILSTEIN REFERENCE NO. :
1747443
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C3-H9-O3-P
MOLECULAR WEIGHT :
124.09
WISWESSER LINE NOTATION :
QPQO&3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3723 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GUCHAZ Guide to the Chemicals Used in Crop Protection. (Information Canada, 171 Slater St., Ottawa, Ont., Canada) Volume(issue)/page/year: 6,438,1973
毒理学数据:

1、急性毒性:大鼠口径LDLo3723 mg/kg
2主要的刺激性影响

在皮肤上面:在皮肤和粘膜上造成腐蚀性影响

   在眼睛上面:强烈腐蚀性影响

   致敏作用:没有已知的敏化影响

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: Propylphosphonic acid 95% Material Safety Data Sheet
Synonym:
CAS: 4672-38-2
Section 1 - Chemical Product   MSDS Name:Propylphosphonic acid 95% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4672-38-2 Propylphosphonic acid 95% 225-121-8
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Hygroscopic.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
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.
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 lids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do NOT induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.
Autoignition Temperature: Not available.
Flash Point: Not available.
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.

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. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
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.
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 29CFR 1910.134. Always use a NIOSH-approved respirator when necessary.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Appearance: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Vapor Density: Not available.
Evaporation Rate: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 67 - 71 deg C
Decomposition Temperature: Not available.
Solubility: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C3H9O3P
Molecular Weight: 124.09

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 oxidizing agents - strong bases.
Hazardous Decomposition Products:
Phosphine, carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 4672-38-2: TA0420000 LD50/LC50:
Not available.
Carcinogenicity:
Propylphosphonic acid - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  For further information, contact Fisher Scientific.

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
CDG/CPL
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: II
IATA
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Dangerous Goods Code: 8(39B)
UN Number: 3261
Canadian TDG
No information available.

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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 27 Take off immediately all contaminated clothing.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 28A After contact with skin, wash immediately with
plenty of water.
WGK (Water Danger/Protection)
CAS# 4672-38-2: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 4672-38-2 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 4672-38-2 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:25.89

2、   摩尔体积(m3/mol):97.2

3、   等张比容(90.2K):257.0

4、   表面张力(dyne/cm):48.9

5、   极化率10-24cm3):10.26

计算化学数据


1.疏水参数计算参考值(XlogP):-0.7

2.氢键供体数量:2

3.氢键受体数量:3

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57.5

7.重原子数量:7

8.表面电荷:0

9.复杂度:84.2

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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  • 117071-28-0

    N/A

下游产品

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  • 18812-51-6

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