2-吗啉-4-基-苯甲酰

2-吗啉-4-基-苯甲酰 基本信息
CAS号 58028-76-5 分子式 C11H13NO2
分子量 191.22600 精确质量  191.09500
PSA  29.54000 LogP  1.40070

基本信息 展开↓

CAS号:
58028-76-5
3D弹球模型:
立即前往扯扯看
分子式:
C11H13NO2
分子量:
191.22600
中文名称:
2-吗啉-4-基-苯甲酰
英文名称:
2-Morpholinobenzaldehyde
中文别名:
2-吗啉-4-基-苯甲酰;
2-(4-吗啉基)苯甲醛;
2-吗啉苯甲醛
英文别名:
2-Morpholinobenzaldehyde;
2-Morpholinobenzenecarbaldehyde
精确分子量/精确质量:
191.09500
极性分子表面积/PSA:
29.54000
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。
InChI:
InChI=1/C11H13NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,9H,5-8H2

物化性质展开↓

密度:
1.163g/cm3
熔点:
45-48ºC
沸点:
342.8ºC at 760mmHg
闪点:
161.1ºC
折射率:
1.581
存储条件/存储方法:

干性保护气体下,在密封的贮藏器内,并放置阴凉,通风干燥的地方保存

稳定性相关:

 

常温常压下稳定,避免接触水

其它信息:

1.       性状:未确定

2.       密度g/cm3,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):45-48

5.       沸点(ºC 2mmHg):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(℃2mmHg):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值(25℃):未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:水(/mL ):未确定

安全信息展开↓

海关代码:
2934999090
安全说明:
S24/25
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

  • 110-91-8

    吗啉

  • +

  • 446-52-6

    2-氟苯甲醛

  • ~87%

  • 58028-76-5

    2-吗啉-4-基-苯甲酰

毒理性展开↓

生态数据:

水是稍微的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: 2-Morpholinobenzaldehyde 97% Material Safety Data Sheet
Synonym:
CAS: 58028-76-5
Section 1 - Chemical Product   MSDS Name:2-Morpholinobenzaldehyde 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
58028-76-5 2-Morpholinobenzaldehyde 97% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. 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:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 58028-76-5: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 45 - 48 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: C11H13NO2
Molecular Weight: 191

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes, ammonia.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 58028-76-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Morpholinobenzaldehyde - 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
No information available.
IMO
No information available.
RID/ADR
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# 58028-76-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 58028-76-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 58028-76-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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:54.81

2、   摩尔体积(m3/mol):164.4

3、   等张比容(90.2K):428.2

4、   表面张力(dyne/cm):46.0

5、   极化率10-24cm3):21.73

计算化学数据


1.疏水参数计算参考值(XlogP):1.1

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积29.5

7.重原子数量:14

8.表面电荷:0

9.复杂度:190

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

上下游相关产品

上游产品

更多
  • 110-91-8

    吗啉

  • 446-52-6

    2-氟苯甲醛

下游产品

更多
  • 465514-33-4

    2-(吗啉-4-基-苯基)甲醇

  • 87698-97-3

    2-[(2-morpholin-4-ylphenyl)methylidene]propanedinitrile

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便