（1-氨基丁基）磷酸 | 13138-36-8

• 物质功能分类: 有机原料 - 有机膦化合物
• 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
• 中文名称: （1-氨基丁基）磷酸
• 中文别名: 1-胺基膦酸；(1-氨基丁基)磷酸
• 英文名称: 1-aminobutylphosphonic acid
• 英文别名: 1-Aminobutylphosphonate；(1-amino-butyl)-phosphonic acid；1-amino-butylphosphonic acid；(α-aminobutyl)-phosphonic acid；(1-Aminobutyl)phosphonate；1-azaniumylbutyl(hydroxy)phosphinate
• CAS: 13138-36-8
• 化学式: C₄H₁₂NO₃P
• mdl: MFCD00039779
• 分子量: 153.118
• InChiKey: UAEPDDGDPAPPHZ-UHFFFAOYSA-N

物化性质

• 熔点：
  276-281 °C
• 沸点：
  312.5±44.0 °C(Predicted)
• 密度：
  1.300
• 稳定性/保质期：

  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  9
• 可旋转键数：
  3
• 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
• 海关编码：
  2931900090
• 安全说明：
  S26,S37/39
• 储存条件：
  存于阴凉干燥处

SDS

Name:	(1-Aminobutyl)phosphonic acid 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	13138-36-8

Section 1 - Chemical Product MSDS Name:(1-Aminobutyl)phosphonic acid 97% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13138-36-8	(1-Aminobutyl)phosphonic acid	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
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. Can produce delayed pulmonary edema.
Chronic:
No information found.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 13138-36-8: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 279 - 283 deg C (dec.)
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: C4H12NO3P
Molecular Weight: 153.12

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13138-36-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(1-Aminobutyl)phosphonic acid - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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# 13138-36-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13138-36-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13138-36-8 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  （1-氨基丁基）磷酸 、 1-nitro-9-phenoxyacridine 在 苯酚 作用下， 反应 1.0h， 以96%的产率得到1-[(1-硝基吖啶-9-基)氨基]丁基膦酸
  参考文献：
  名称：

  Wysocka-Skrzela, Barbara, Polish Journal of Chemistry, 1982, vol. 56, # 10-12, p. 1573 - 1576

  摘要：

  DOI：
• 作为产物：
  描述：

  正丁醛 在 氨基甲酸苄酯 、 溶剂黄146 、 三氯化磷 、 盐酸 、 水 、 methyloxirane 作用下， 以 甲醇 为溶剂， 反应 2.33h， 以65%的产率得到（1-氨基丁基）磷酸
  参考文献：
  名称：

  POLYMERIZABLE PHOSPHONIC ACID DERIVATIVE AND ADHESIVE COMPOSITION COMPRISING THE SAME

  摘要：

  本发明提供了一种粘合剂组合物，其包括一种可聚合的膦酸衍生物，该衍生物是一种具有聚合基团和膦酸基团的组合物，由通式[1]表示： 其中， R代表聚合基团； A代表氧原子或硫原子； Xqs代表独立的氧原子或硫原子； Yqs代表独立的相同或不同的有机基团； Zqs可以独立地与彼此不同，部分Zqs可选或全部Zqs代表具有取代基的有机基团，所述取代基是聚合基团和膦酸基团以外的有机基团； p是1到10的整数； q是1到p的整数； 当p为1时，q为1； X1代表氧原子或硫原子； Y1代表有机基团； Z1代表具有一个或多个取代基的有机基团，所述取代基是酸性基团和聚合基团以外的有机基团，或其盐。 根据本发明，所述粘合剂组合物或其盐可以改善含有内部酸性基团和水的（甲基）丙烯酸酯单体在牙科治疗中的粘附性和货架寿命。

  公开号：

  US20090048426A1

文献信息

• Conversion of amino acids and dipeptides into their phosphonic analogs
  作者：George Ösapay、Ildikó Szilagyi、Jenö Seres

  DOI：10.1016/s0040-4020(01)86836-8

  日期：1987.1

  Acylamino carboxylic acids were degradated by the Hunsdiecker-reaction; the bromo-derivatives were reacted with NaPO(OC2H5)2. Aminophosphonic acids were obtained by acidic hydrolysis, and half-blocked derivatives by the selective removal of masking substituents. Two phosphonopeptides [e.g. Alafosfalin (4i)] were also prepared by this route.

  酰基氨基羧酸通过Hunsdiecker反应被降解。溴衍生物与NaPO（OC 2 H 5）2反应。通过酸性水解获得氨基膦酸，通过选择性去除掩蔽取代基获得半封闭的衍生物。通过该途径也制备了两个磷酸肽[例如Alafosfalin（4i）]。
• 1-Aminoalkanephosphonic acids. Addition of diethyl phosphite to N-diisobutylaluminio-aldimines
  作者：Zbigniew H. Kudzin、Michał W. Majchrzak

  DOI：10.1016/0022-328x(89)85134-4

  日期：1989.11

  A new route to 1-aminoalkanephosphonic acids starting from nitriles has been elaborated. The nitriles are reduced by Dibal-H into imine derivatives; addition with diethyl phosphite gives the corresponding 1-aminoalkanephosphonates. Hydrolysis of latter compounds gives the 1-aminoalkanephosphonic acids.

  已经阐明了从腈开始合成1-氨基链烷膦酸的新途径。腈被Dibal-H还原为亚胺衍生物。用亚磷酸二乙酯加成得到相应的1-氨基链烷膦酸酯。后一种化合物的水解得到1-氨基链烷膦酸。
• 1-Aminoalkanephosphonates. Part II. A Facile Conversion of 1-Aminoalkanephosphonic Acids into 0,0-Diethyl 1-aminoalkanephosphonates
  作者：Zbigniew H. Kudzin、Piotr Łyżwa、Jerzy Łuczak、Grzegorz Andrijewski

  DOI：10.1055/s-1997-1508

  日期：1997.1

  1-(N-Trifluoroacetylamino)alkanephosphonate 0,0-diethyl esters 2 C, obtained from parent 1-aminoalkanephosphonic acids 1, have been selectively deprotected on the amino function affording 0,0-diethyl 1-aminoalkanephosphonates 3. Protonation constants of all amino esters 3 synthesized have been determined by potentiometric titration.

  从母体 1-氨基烷基膦酸 1 中得到的 1-(N-三氟乙酰氨基)烷基膦酸 0,0-二乙酯 2 C 在氨基官能团上进行选择性脱保护，得到 0,0-二乙基 1-氨基烷基膦酸 3。通过电位滴定法测定了合成的所有氨基酯 3 的质子常数。
• Tritylamine (triphenylmethylamine) in organic synthesis; III. The synthesis of 1-aminoalkylphosphonic acids in the reaction of N-(triphenylmethyl)alkanimines with phosphorus trichloride in acetic acid or with phosphonic acid in acetic anhydride.
  作者：Miroslaw Soroka、Waldemar Goldeman

  DOI：10.3998/ark.5550190.0011.b29

  日期：——

  The reaction of phosphorus trichloride in acetic acid or phosphonic (phosphorous) acid in acetic anhydride, with N-(triphenylmethyl)alkanimines gives 1-acetylaminoalkylphosphonic acids 1a-j, which after hydrolysis give 1-aminoalkylphosphonic acids 2a-j in good yields.

  三氯化磷在乙酸中或在乙酸酐中的膦酸（亚磷酸）与 N-（三苯基甲基）链烷胺反应生成 1-乙酰氨基烷基膦酸 1a-j，水解后生成 1-氨基烷基膦酸 2a-j，收率良好。
• 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：——