(1-amino-2,2-dimethylpropyl)phosphonic acid | 125078-15-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: (1-amino-2,2-dimethylpropyl)phosphonic acid
• CAS: 125078-15-1
• 化学式: C₅H₁₄NO₃P
• mdl: MFCD01112616
• 分子量: 167.145
• InChiKey: OZTDKZBAEQVCEE-UHFFFAOYSA-N

物化性质

• 熔点：
  245-252 °C
• 沸点：
  305.2±44.0 °C(Predicted)
• 密度：
  1.244±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  83.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 安全说明：
  S37/39

SDS

Name:	(1-Amino-2 2-dimethylpropyl)phosphonic acid 97% Material Safety Data Sheet
Synonym:
CAS:	125078-15-1

Section 1 - Chemical Product MSDS Name:(1-Amino-2 2-dimethylpropyl)phosphonic acid 97% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
125078-15-1	(1-Amino-2,2-dimethylpropyl)phosphonic	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# 125078-15-1: 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: 245 - 252 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: C5H14NO3P
Molecular Weight: 167.14

---

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# 125078-15-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(1-Amino-2,2-dimethylpropyl)phosphonic acid - 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
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# 125078-15-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 125078-15-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 125078-15-1 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (1-amino-2,2-dimethylpropyl)phosphonic acid 在 sodium nitrite 作用下， 以 水 为溶剂， 生成 2-hydroxy-1,2-dimethylpropylphosphonic acid 、 1-Hydroxy-2,2-dimethylpropylphosphonsaeure
  参考文献：
  名称：

  1-氨基烷基膦酸的脱氨：反应中间体和选择性。

  摘要：

  1-氨基烷基膦酸在与 HNO2 的反应中脱氨（从 NaNO2“原位”生成）产生取代产物（1-羟基烷基膦酸）、消除产物（乙烯基膦酸衍生物）、重排和取代产物（2-羟基烷基膦酸）的混合物) 以及 H3PO4。形成的各种反应产物表明 1-phosphonoalkylium 离子可能是此类脱氨反应的中间体。

  DOI：

  10.3390/molecules27248849
• 作为产物：
  描述：

  N-(1-acetamido-2,2-dimethylpropyl)acetamide 在 盐酸 、 溶剂黄146 、 三氯化磷 作用下， 生成 (1-amino-2,2-dimethylpropyl)phosphonic acid
  参考文献：
  名称：

  Soroka, Miroslaw; Jaworska, Dorota; Szczesny, Zbigniew, Liebigs Annalen der Chemie, 1990, # 11, p. 1153 - 1155

  摘要：

  DOI：

文献信息

• Sigmatropic isomerizations in azaallyl systems: XXI. Alkanimidoylphosphonates and their prototropic and phosphorotropic isomers
  作者：P. P. Onys’ko、T. V. Kim、E. I. Kiseleva、A. D. Sinitsa

  DOI：10.1007/s11176-005-0110-8

  日期：2004.12

  Synthetic procedures for alkanimidoylphosphoryl derivatives with α-hydrogen atoms in the N-alkyl radical are developed. Data on the effect of substituents at the carbon and phosphorus atoms on the facility of prototropic transitions in the C=N-C triad are summarized. The most facile proton transfer occurs in the N-benzyl derivatives, and the prototropic isomer is the more stable, the stronger the electron-acceptor power of the substituent at the sp 3-carbon atom of the azaallyl triad. The proton transfer in N-(α-phenethyl)-trifluoroacetimidoylphosphonates proceeds selectively, which allows preparation of enantiomerically enriched derivatives of α-aminotrifluoroethylphosphonic acid. A specific effect of substituents at the phosphorus atom on the prototropism attendant on phosphorylation of imidoyl chlorides is demonstrated.

  开发了含有α-氢原子的N-烷基自由基的烷基脲膦酰基衍生物的合成方法。总结了碳原子和磷原子上的取代基对C=N-C三元组中质子转移便利性的影响数据。在N-苄基衍生物中，质子转移最为容易，随着位于氮杂烯三元组的sp³碳原子上的取代基的电子受体能力增强，质子异构体愈加稳定。在N-(α-苯乙基)-三氟乙酰基脲膦酸酯中，质子转移选择性进行，这使得能够制备富含对映体的α-氨基三氟乙基膦酸的衍生物。证实了磷原子上取代基对氯脲酰化反应中伴随的质子转移的特定影响。
• Soroka, Miroslaw, Liebigs Annalen der Chemie, 1990, # 4, p. 331 - 334
  作者：Soroka, Miroslaw

  DOI：——

  日期：——
• SOROKA, MIROSLAW;JAWORSKA, DOROTA;SZCZESNY, ZBIGNIEW, LIEBIGS ANN. CHEM.,(1990) N1, C. 1153-1155
  作者：SOROKA, MIROSLAW、JAWORSKA, DOROTA、SZCZESNY, ZBIGNIEW

  DOI：——

  日期：——
• Soroka, Miroslaw; Jaworska, Dorota; Szczesny, Zbigniew, Liebigs Annalen der Chemie, 1990, # 11, p. 1153 - 1155
  作者：Soroka, Miroslaw、Jaworska, Dorota、Szczesny, Zbigniew

  DOI：——

  日期：——
• Deamination of 1-Aminoalkylphosphonic Acids: Reaction Intermediates and Selectivity
  作者：Anna Brol、Tomasz K. Olszewski

  DOI：10.3390/molecules27248849

  日期：——

  acids in the reaction with HNO2 (generated "in situ" from NaNO2) yields a mixture of substitution products (1-hydroxyalkylphosphonic acids), elimination products (vinylphosphonic acid derivatives), rearrangement and substitution products (2-hydroxylkylphosphonic acids) as well as H3PO4. The variety of formed reaction products suggests that 1-phosphonoalkylium ions may be intermediates in such deamination

  1-氨基烷基膦酸在与 HNO2 的反应中脱氨（从 NaNO2“原位”生成）产生取代产物（1-羟基烷基膦酸）、消除产物（乙烯基膦酸衍生物）、重排和取代产物（2-羟基烷基膦酸）的混合物) 以及 H3PO4。形成的各种反应产物表明 1-phosphonoalkylium 离子可能是此类脱氨反应的中间体。