4,4--双(庚氧基)氧化偶氮苯

4,4--双(庚氧基)氧化偶氮苯 基本信息
CAS号 2635-26-9 分子式 C26H38N2O3
分子量 426.59200 精确质量  426.28800
PSA  59.57000 LogP  8.83390

基本信息 展开↓

CAS号:
2635-26-9
3D弹球模型:
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分子式:
C26H38N2O3
分子量:
426.59200
中文名称:
4,4--双(庚氧基)氧化偶氮苯
英文名称:
(4-heptoxyphenyl)-(4-heptoxyphenyl)imino-oxidoazanium
中文别名:
4,4--双(庚氧基)氧化偶氮苯;
4,4'--双(庚氧基)氧化偶氮苯
英文别名:
(4-heptoxyphenyl)-(4-heptoxyphenyl)imino-oxidoazanium;
4,4'-Bis(heptyloxy)azoxybenzene;
bis-(4-heptyloxy-phenyl)-diazene N-oxide;
p,p'-Diheptyloxyazoxybenzene;
4,4'-Diheptyloxyazoxybenzene;
Azoxybenzene,4'-bis(heptyloxy);
p-Diheptyloxyazoxybenzene;
4,4'-Diheptoxyazoxybenzene
精确分子量/精确质量:
426.28800
极性分子表面积/PSA:
59.57000
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:
220-124-0
InChI:
InChI=1/C26H38N2O3/c1-3-5-7-9-11-21-30-25-17-13-23(14-18-25)27-28(29)24-15-19-26(20-16-24)31-22-12-10-8-6-4-2/h13-20H,3-12,21-22H2,1-2H3/b28-27-

物化性质展开↓

密度:
1.02g/cm3
熔点:
73-122ºC
沸点:
553.3ºC at 760mmHg
闪点:
288.4ºC
折射率:
1.522
蒸汽压:
1.01E-11mmHg at 25°C

安全信息展开↓

危险类别码:
R36/37/38
安全说明:
37/39-26-16
危险标志:
Xn;F

MSDS 展开↓

Name: 4 4 -Bis(Heptyloxy)Azoxybenzene Material Safety Data Sheet
Synonym: Bis-4-(Heptyloxy)Phenyldiazene-1-Oxide
CAS: 2635-26-9
Section 1 - Chemical Product   MSDS Name:4 4 -Bis(Heptyloxy)Azoxybenzene Material Safety Data Sheet
Synonym:Bis-4-(Heptyloxy)Phenyldiazene-1-Oxide

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2635-26-9 4,4'-Bis(Heptyloxy)Azoxybenzene 100% 220-124-0
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.
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: 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.
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.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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.

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.

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. 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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 2635-26-9: 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 and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: almost white to light gray
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 73.00 - 122.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C26H38N2O3
Molecular Weight: 426.59

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2635-26-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,4'-Bis(Heptyloxy)Azoxybenzene - 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.
WGK (Water Danger/Protection)
CAS# 2635-26-9: No information available.
Canada
CAS# 2635-26-9 is listed on Canada's NDSL List.
CAS# 2635-26-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2635-26-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):8.8

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:16

5.互变异构体数量:无

6.拓扑分子极性表面积:59.6

7.重原子数量:31

8.表面电荷:0

9.复杂度:456

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

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