4721-24-8 (2-羟基膦酰基乙酸,n-Hexylphosphonic acid)

CAS号:
4721-24-8
中文名称:
2-羟基膦酰基乙酸
英文名称:
n-Hexylphosphonic acid
安全信息:
分子式:
C6H15O3P
分子量:
166.155263185501

2-羟基膦酰基乙酸(4721-24-8)名称与标识符

名称

中文别名:
2-羟基膦酰基乙酸;正己基磷酸;己基膦酸;P-己基磷酸;正己基膦酸;
英文别名:
2-Hydroxyphosphonoacetic Acid;HPAA;Hydroxyphosphono-acetic acid;HPA;N-HEXYLPHOSPHONIC ACID;2-Hydroxyphosphonocarboxylic Acid;2-Hydroxy Phosphonic Acetic AcidStructure;Hexylphosphonic Acid;P-hexyl-Phosphonic acid;1-Hexylphosphonic acid;hexanephosphonic acid;hexyl-phosphonic acid;Hexyl-phosphonsaeure;n-Hexylphosphonic acid,,min.;NSC 222656;Phosphonic acid, P-hexyl-;HexylphosphonicAcid;Hexylphosphonic acid, 95%;STK372994;SBB057477;NSC222656;FCH919454;ST50877393;Alkyl Phosphonic Acid C6;FT-0635409;SCHEMBL121170;AKOS005259353;DTXSID50963772;MFCD00013961;H1551;SY048258;T72503;N-HEXYLPHOSPHONICACID;NSC-222656;4721-24-8;CS-0313519;F0001-1262;AS-57736;DB-051435;

标识符

MDL:
MFCD00013961
InChIKey:
GJWAEWLHSDGBGG-UHFFFAOYSA-N
Inchi:
1S/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)
SMILES:
P(CCCCCC)(=O)(O)O

2-羟基膦酰基乙酸(4721-24-8)物化性质

实验特性

  • LogP : 1.74440
  • PSA : 67.34000
  • 水溶性 : Insoluble in water.
  • 熔点 : 107.0 to 111.0 deg-C
  • 溶解度 : 微溶 (7.1 g/L) (25 ºC),
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.132±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 166.07600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 5
  • 同位素质量 : 166.07588133g/mol
  • 重原子数量 : 10
  • 复杂度 : 118
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.7
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 57.5

2-羟基膦酰基乙酸(4721-24-8)相关文献

2-羟基膦酰基乙酸(4721-24-8)参考资料

Reaxys RN:
1756554
Beilstein:
H157410
PubChem CID:

2-羟基膦酰基乙酸(4721-24-8) MSDS

基础信息


Section 1: Product Identification
   Chemical Name:       n-Hexylphosphonic acid, min. 97%    
   CAS Registry Number:       4721-24-8    
   Formula:       CH3(CH2)5P(O)(OH)2    
   EINECS Number:       none    
   Chemical Family:       organic phosphonic acid    
   Synonym:       1-Hexylphosphonic acid    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       4721-24-8       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Inhalation, skin, eyes    
   Eye Contact:       Dust causes moderate to severe irritation of the eyes.    
   Skin Contact:       Causes irritation to the skin    
   Inhalation:       Causes irritation to the nose, mucous membranes and respiratory tract    
   Ingestion:       No information on the physiological effects of ingestion. May be harmful if swallowed.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic effects    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry chemical or foam    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire, this material may emit irritating organic fumes    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards

SECTION 6: Accidental Release Measures
   Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and
   Spill and Leak Procedures:
   swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a tightly sealed container in a cool, dry place.    

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.    
   Ventilation:       It is imperative that this material be handled in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       It is imperative that this material be handled in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       white to off-white powder    
   Molecular Weight:       166.16    
   Melting Point:       105-106°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       not determined    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents    
   Decomposition Products:       carbon dioxide, carbon monoxide and organic fumes    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files    
   Carcinogenic Effects:       no data    
   Mutagenic Effects:       no data    
   Tetratogenic Effects:       no data    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory    
   SARA (Title 313):       Title compound not listed    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A