2- ((N-乙氨基)甲基)-4-硝基苯酚

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

2- ((N-乙氨基)甲基)-4-硝基苯酚 基本信息

中文名称:
2- ((N-乙氨基)甲基)-4-硝基苯酚 
中文别名:
1-羟基-6-羰基-1,6-二氢吡啶-3-羧酸;
2-(ethylaminomethyl)-4-nitrophenol 
英文名称:
Phenol,2-[(ethylamino)methyl]-4-nitro-
英文别名:
2-(ethylaminomethyl)-4-nitrophenol;
2-((Ethylamino)methyl)-4-nitrophenol;
Phenol,2-((ethylamino)methyl)-4-nitro;
N-Ethyl-2-hydroxy-5-nitrobenzenemethanamine 
CAS No.:
71130-60-4
分 子 式:
C9H12N2O3
分 子 量:
0
精确分子量:
196.08500
PSA:
78.08000
InChI:
The Key: BXQBOFZTTUXRNK-UHFFFAOYSA-N
分子结构式:
SDS:
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2- ((N-乙氨基)甲基)-4-硝基苯酚 物化性质

密度:
1.242g/cm3
熔点:
200-201ºC
沸点:
358.7ºC at 760 mmHg
闪点:
170.8ºC
折射率:
1.579

2- ((N-乙氨基)甲基)-4-硝基苯酚 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL4127500
CHEMICAL NAME :
Phenol, 2-((ethylamino)methyl)-4-nitro-
CAS REGISTRY NUMBER :
71130-60-4
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H12-N2-O3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1014 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0522374
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0522374

2- ((N-乙氨基)甲基)-4-硝基苯酚 MSDS

Name: 2-((n-ethylamino)methyl)-4-nitrophenol Material Safety Data Sheet
Synonym:
CAS: 71130-60-4
Section 1 - Chemical Product   MSDS Name:2-((n-ethylamino)methyl)-4-nitrophenol Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
71130-60-4 Phenol, 2-(ethylamino)methyl-4-nitro- unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 71130-60-4: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: Powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 0 deg C
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: C9H12N2O3
Molecular Weight: 196.21

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 71130-60-4: SL4127500 LD50/LC50:
CAS# 71130-60-4: Oral, rat: LD50 = 1014 mg/kg.
Carcinogenicity:
Phenol, 2-(ethylamino)methyl-4-nitro- - 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
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.
WGK (Water Danger/Protection)
CAS# 71130-60-4: No information available.
Canada
CAS# 71130-60-4 is listed on Canada's NDSL List.
CAS# 71130-60-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 71130-60-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2- ((N-乙氨基)甲基)-4-硝基苯酚 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):1.7

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:3

6.拓扑分子极性表面积:78.1

7.重原子数量:14

8.表面电荷:0

9.复杂度:193

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:0

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

2- ((N-乙氨基)甲基)-4-硝基苯酚 上游产品

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