4-(5)-硝基茚满

4-(5)-硝基茚满 基本信息
CAS号 7436-07-9 分子式 C9H9NO2
分子量 163.17300 精确质量  163.06300
PSA  45.82000 LogP  2.60670

基本信息 展开↓

CAS号:
7436-07-9
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分子式:
C9H9NO2
分子量:
163.17300
中文名称:
4-(5)-硝基茚满
英文名称:
5-nitro-2,3-dihydro-1H-indene
中文别名:
4-(5)-硝基茚满;
5-硝基茚满
英文别名:
5-nitro-2,3-dihydro-1H-indene;
4(5)-Nitroindan;
1H-Indene,2,3-dihydro-5-nitro;
2,3-dihydro-5-nitro-1H-indene;
5-Nitroindan;
5-Nitroindane;
Indan,5-nitro
精确分子量/精确质量:
163.06300
极性分子表面积/PSA:
45.82000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
231-088-0
InChI:
The Key: DLURUQQMVLOLCP-UHFFFAOYSA-N

物化性质展开↓

密度:
1.251g/cm3
沸点:
272.9ºC at 760 mmHg
闪点:
126.7ºC
折射率:
1.606

安全信息展开↓

安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi

合成路线查看所有的合成路线

  • 496-11-7

    茚满

  • 7436-07-9

    4-(5)-硝基茚满

  • 496-11-7

    茚满

  • 34701-14-9

    4-硝基茚满

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  • 7436-07-9

    4-(5)-硝基茚满

化学图谱

  1. 4-(5)-硝基茚满红外图谱(IR1)

  2. 4-(5)-硝基茚满红外图谱(IR2)

  3. 4-(5)-硝基茚满质谱(MS)

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MSDS 展开↓

Name: 5-Nitroindan 99% Material Safety Data Sheet
Synonym:
CAS: 7436-07-9
Section 1 - Chemical Product   MSDS Name:5-Nitroindan 99% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7436-07-9 5-Nitroindan, 99% 99 231-088-0
Hazard Symbols: Not available.
Risk Phrases:

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: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower lids.
Skin:
Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do NOT induce vomiting. Allow the victim to rinse his mouth and then to drink 2-4 cupfuls of water, and seek medical advice.
Inhalation:
Remove from exposure to fresh air immediately.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Autoignition Temperature: Not available.
Flash Point: Not available.
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. 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 adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA-approved (or equivalent) full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Not available.
Appearance: brown green
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Vapor Density: Not available.
Evaporation Rate: Not available.
Viscosity: Not available.
Boiling Point: @ 760.00mm Hg
Freezing/Melting Point: 39.00 - 40.00 deg C
Decomposition Temperature: Not available.
Solubility: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C9H9NO2
Molecular Weight: 163.18

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: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 7436-07-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Nitroindan, 99% - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  For further information, contact Fisher Scientific.

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

Section 14 - TRANSPORT INFORMATION
 
CDG/CPL
IMO
Not regulated as a hazardous material.
IATA
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Canadian TDG
No information available.

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# 7436-07-9:
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 7436-07-9 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 7436-07-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:31.56

2、  摩尔体积(cm3/mol):93.4

3、  等张比容(90.2K):250.2

4、  表面张力(dyne/cm):51.4

5、  极化率(10-24cm3):12.51

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