7-甲酰基吲哚

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

7-甲酰基吲哚 基本信息

中文名称:
7-甲酰基吲哚 
中文别名:
吲哚-7-甲醛;
7-吲哚甲醛;
7-甲酰基吲哚 
英文名称:
1H-Indole-7-carboxaldehyde
英文别名:
Indole-7-carboxaldehyde;
1H-Indole-7-carbaldehyde;
7-Formylindole;
Indole-7-Carboxaldehyde;
1H-indole-7-carbaldehyde 
CAS No.:
1074-88-0
分 子 式:
C9H7NO
分 子 量:
145.16
精确分子量:
145.05300
PSA:
32.86000
MDL:
MFCD01318152
BRN:
1524960
InChI:
InChI=1/C9H7NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-6,10H
危险品标志:
IrritantXi
风险术语:
R36/37/38
安全术语:
S26;S36
分子结构式:
SDS:
查看

7-甲酰基吲哚 物化性质

外观与性状:
黄色结晶固体
密度:
1.278 g/cm3
熔点:
87-91 °C(lit.)
沸点:
339.1ºC at 760 mmHg
闪点:
166.8ºC
水溶解性:
insoluble
折射率:
1.729
蒸汽压:
9.42E-05mmHg at 25°C
存储条件/存储方法:

储存在干爽的惰性气体下,保持容器密封,储存在阴凉,干燥的地方 

稳定性相关:

常温常压下稳定,避免氧化物 空气接触

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):87-91

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,14mmHg):未确定

7.       折射率(n20/D)未确定

8.       闪点(ºC):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(mmHg,20ºC):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: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:不溶于水

7-甲酰基吲哚 安全信息

海关代码:
2933990090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22;R43
安全说明:
S36/37
危险标志:
Xn:Harmful;

7-甲酰基吲哚 毒理性

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

7-甲酰基吲哚 MSDS

Name: Indole-7-carboxaldehyde 98% Material Safety Data Sheet
Synonym: 7-Formylindol
CAS: 1074-88-0
Section 1 - Chemical Product   MSDS Name:Indole-7-carboxaldehyde 98% Material Safety Data Sheet
Synonym:7-Formylindol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1074-88-0 Indole-7-carboxaldehyde 98% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Air sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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:
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# 1074-88-0: 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: Powder
Color: yellow
Odor: amine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 87 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C9H7NO
Molecular Weight: 145.16

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1074-88-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Indole-7-carboxaldehyde - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1074-88-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1074-88-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1074-88-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

7-甲酰基吲哚 海关数据

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

7-甲酰基吲哚 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:45.28

2、   摩尔体积m3/mol113.5                

3、   等张比容90.2K315.7

4、   表面张力dyne/cm59.8

5、   介电常数:不可用

6、   偶极距10-24cm3:无可用

7、   极化率:17.95

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:5

6.拓扑分子极性表面积32.9

7.重原子数量:11

8.表面电荷:0

9.复杂度:158

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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