(1-氨基-甲基苯)磷酸

  • 基本信息
  • 物化性质
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

(1-氨基-甲基苯)磷酸 基本信息

中文名称:
(1-氨基-甲基苯)磷酸 
中文别名:
(1-氨基-甲基苯)磷酸;
α-Aminobenzylphosphonic acid C6H5CH(NH2)P(O)(OH)2 
英文名称:
(1-Amino-1-phenylmethyl)phosphonic acid
英文别名:
1-amino-1-phenylmethyl phosphonic acid;
H2NCHPhP(O)(OH)2;
(1-Amino-1-phenylmethyl)phosphonic acid;
(RS)-phosphonic acid;
(+/-)-1-aminophenylmethylphosphonic acid;
[amino(phenyl)methyl]phosphonic acid;
Phosphonic acid,(aminophenylmethyl);
(Aminophenylmethyl)phosphonic acid 
CAS No.:
18108-22-0
分 子 式:
C7H10NO3P
分 子 量:
187.13
精确分子量:
187.04000
PSA:
93.36000
MDL:
MFCD00014809
EINECS:
226-260-7
InChI:
The Key: ZKFNOUUKULVDOB-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26S37/S39
分子结构式:
SDS:
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(1-氨基-甲基苯)磷酸 物化性质

密度:
1.446g/cm3
沸点:
407.9ºC at 760 mmHg
闪点:
200.5ºC
蒸汽压:
2.19E-07mmHg at 25°C
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

 

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):279-284

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

(1-氨基-甲基苯)磷酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SZ6562500
CHEMICAL NAME :
Phosphonic acid, (aminophenylmethyl)-
CAS REGISTRY NUMBER :
18108-22-0
BEILSTEIN REFERENCE NO. :
2049498
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H10-N-O3-P
MOLECULAR WEIGHT :
187.15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 38,435,1986
毒理学数据:

试验方法:腹腔
摄入剂量: “ 1毫克/千克
测试对象:啮齿动物-
毒性类型:急性
毒性作用:详细的毒副作用没有报告以外的其他致死剂量值

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

(1-氨基-甲基苯)磷酸 MSDS

Name: (1-Amino-1-phenylmethyl)phosphonic acid 97% Material Safety Data Sheet
Synonym: alpha-Aminobenzylphosphonic aci
CAS: 18108-22-0
Section 1 - Chemical Product   MSDS Name:(1-Amino-1-phenylmethyl)phosphonic acid 97% Material Safety Data Sheet
Synonym:alpha-Aminobenzylphosphonic aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
18108-22-0 (1-Amino-1-phenylmethyl)phosphonic aci 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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.

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# 18108-22-0: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 283 - 285 deg C (de
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C7H10NO3P
Molecular Weight: 187.13

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 18108-22-0: SZ6562500 LD50/LC50:
Not available.
Carcinogenicity:
(1-Amino-1-phenylmethyl)phosphonic acid - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 18108-22-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18108-22-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18108-22-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

(1-氨基-甲基苯)磷酸 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:44.65

2   摩尔体积m3/mol):129.3

3   等张比容90.2K):377.3

4   表面张力3.0 dyne/cm):72.4

5   极化率0.5 10-24cm3):17.70

计算化学数据

1.疏水参数计算参考值(XlogP):-3.2

2.氢键供体数量:3

3.氢键受体数量:4

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83.6

7.重原子数量:12

8.表面电荷:0

9.复杂度:185

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:1

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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