62796-28-5 (4-硝苯基磷酸酯双(氨基乙基丙二醇),4-Nitrophenyl dihydrogen phosphate - 2-amino-2-ethyl-1,3-propanediol (1:2))

CAS号:
62796-28-5
中文名称:
4-硝苯基磷酸酯双(氨基乙基丙二醇)
英文名称:
4-Nitrophenyl dihydrogen phosphate - 2-amino-2-ethyl-1,3-propanediol (1:2)
分子式:
C16H32N3O10P
分子量:
457.413146018982

4-硝苯基磷酸酯双(氨基乙基丙二醇)(62796-28-5)名称与标识符

名称

中文别名:
4-硝苯基磷酸酯双(氨基乙基丙二醇);
英文别名:
Phosphoric acid, mono(4-nitrophenyl) ester, compd. with 2-amino-2-ethyl-1,3-propanediol (1:2);2-amino-2-ethylpropane-1,3-diol,(4-nitrophenyl) dihydrogen phosphate;4-Nitrophenyl dihydrogen phosphate - 2-amino-2-ethyl-1,3-propanediol (1:2);EINECS 263-734-2;P-NITROPHENYL PHOSPHATE DI(2-AMINO-2-ETHYL-1,3-PROPANEDIOL) SALT;4-Nitrophenylphosphatebis(2-amino-2-ethyl-1,3-propanediol)salt;p-Nitrophenylphosphate, 2-amino-2-ethyl-1,3-propanediol salt;4-Nitrophenyl phosphate bis(2-amino-2-ethyl-1,3-propanediol) salt;4-Nitrophenyl phosphate di(2-amino-2-ethyl-1,3-propanediol)salt;YVXXRFJXBIWXFT-UHFFFAOYSA-N;DTXSID3069647;p-Nitrophenyl dihydrogen phosphate, compound with 2-amino-2-ethylpropane-1,3-diol (1:2);62796-28-5;2-amino-2-ethylpropane-1,3-diol hemi(4-nitrophenyl phosphate);SCHEMBL705000;2-amino-2-ethylpropane-1,3-diol;(4-nitrophenyl) dihydrogen phosphate;46X9U789XV;Mono(4-nitrophenyl) phosphate 2-ethyl-2-amino-1,3-propanediol salt (1:2);NS00088521;

标识符

InChIKey:
YVXXRFJXBIWXFT-UHFFFAOYSA-N
Inchi:
1S/C6H6NO6P.2C5H13NO2/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*1-2-5(6,3-7)4-8/h1-4H,(H2,10,11,12);2*7-8H,2-4,6H2,1H3
SMILES:
P(=O)(O)(O)OC1C=CC(=CC=1)[N+](=O)[O-].OCC(CO)(CC)N.OCC(CO)(CC)N

4-硝苯基磷酸酯双(氨基乙基丙二醇)(62796-28-5)物化性质

实验特性

  • LogP : 1.14710
  • PSA : 255.35000
  • 沸点 : 457.8°C at 760 mmHg
  • 闪点 : 230.7°C

计算特性

  • 精确分子量 : 457.18300
  • 氢键供体数量 : 8
  • 氢键受体数量 : 12
  • 可旋转化学键数量 : 8
  • 同位素质量 : 457.183
  • 重原子数量 : 30
  • 复杂度 : 311
  • 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 : 3
  • 拓扑分子极性表面积 : 246A^2

4-硝苯基磷酸酯双(氨基乙基丙二醇)(62796-28-5)安全信息

4-硝苯基磷酸酯双(氨基乙基丙二醇)(62796-28-5)国际标准相关数据

EINECS:
263-734-2

4-硝苯基磷酸酯双(氨基乙基丙二醇)(62796-28-5)推荐厂家 更多厂家(9)

4-硝苯基磷酸酯双(氨基乙基丙二醇)(62796-28-5) MSDS

基础信息

Name:4-Nitrophenyl phosphate bis(2-amino- 2-ethyl-1 3-propanediol) salt Material Safety Data Sheet
Synonym:
CAS:62796-28-5
Section 1 - Chemical Product ? MSDS Name:4-Nitrophenyl phosphate bis(2-amino- 2-ethyl-1 3-propanediol) salt Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
62796-28-54-Nitrophenyl phosphate bis(2-amino-2-98263-734-2
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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:

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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

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# 62796-28-5: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C16H32N3O10P
Molecular Weight: 457.41

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, phosphine, carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 62796-28-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Nitrophenyl phosphate bis(2-amino-2-ethyl-1,3-propanediol) salt - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 62796-28-5: No information available.
Canada
CAS# 62796-28-5 is listed on Canada's DSL List.
CAS# 62796-28-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 62796-28-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A