英语词典化工词典

1H-Indole-2-carboxylicacid, 5-methyl-

1H-Indole-2-carboxylicacid, 5-methyl-


  • 中文别名:5-甲基吲哚-2-甲酸
  • 中文释义:5-甲基吲哚-2-甲酸;5-甲基吲哚-2-羧酸
  • 英文别名:5-METHYLINDOLE-2-CARBOXYLIC ACID;
    5-methyl-1H-indole-2-carboxylic acid;
    5-Methyl-1H-indole-2-carboxylic acid 
  • CAS No.:10241-97-1
  • 分子式:

    C10H9NO2

  • 分子量:175.18
  • 精确分子量:175.06300
  • PSA:53.09000
  • MDL:MFCD00047166
  • InChI:InChI=1/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
  • 分子结构式:

物化性质

外观与性状:
淡棕色粉末
密度:
1.34 g/cm3
熔点:
236-238°C (dec.)
沸点:
421.2ºC at 760 mmHg
闪点:
208.5ºC
折射率:
1.696
蒸汽压:
7.58E-08mmHg at 25°C
存储条件/存储方法:

密封于阴凉干燥处。

稳定性相关:

遵照规格使用和储存则不会分解。

其它信息:

1. 性状:奶油色-浅棕色晶体状粉末

2. 密度(g/mL,25/4℃): 无可用

3. 相对蒸汽密度(g/mL,空气=1):无可用

4. 熔点(ºC):236-238

5. 沸点(ºC,常压):无可用

6. 沸点(ºC,5.2kPa): 无可用

7. 折射率: 无可用

8. 闪点(ºC): 无可用

9. 比旋光度(º): 无可用

10. 自燃点或引燃温度(ºC): 无可用

11. 蒸气压(kPa,25ºC): 无可用

12. 饱和蒸气压(kPa,60ºC): 无可用

13. 燃烧热(KJ/mol):无可用

14. 临界温度(ºC): 无可用

15. 临界压力(KPa): 无可用

16. 油水(辛醇/水)分配系数的对数值: 无可用

17. 爆炸上限(%,V/V):无可用

18. 爆炸下限(%,V/V): 无可用

19. 溶解性:不溶于水

安全信息

外观与性状:
淡棕色粉末
密度:
1.34 g/cm3
熔点:
236-238°C (dec.)
沸点:
421.2ºC at 760 mmHg
闪点:
208.5ºC
折射率:
1.696
蒸汽压:
7.58E-08mmHg at 25°C
存储条件/存储方法:

密封于阴凉干燥处。

稳定性相关:

遵照规格使用和储存则不会分解。

其它信息:

1. 性状:奶油色-浅棕色晶体状粉末

2. 密度(g/mL,25/4℃): 无可用

3. 相对蒸汽密度(g/mL,空气=1):无可用

4. 熔点(ºC):236-238

5. 沸点(ºC,常压):无可用

6. 沸点(ºC,5.2kPa): 无可用

7. 折射率: 无可用

8. 闪点(ºC): 无可用

9. 比旋光度(º): 无可用

10. 自燃点或引燃温度(ºC): 无可用

11. 蒸气压(kPa,25ºC): 无可用

12. 饱和蒸气压(kPa,60ºC): 无可用

13. 燃烧热(KJ/mol):无可用

14. 临界温度(ºC): 无可用

15. 临界压力(KPa): 无可用

16. 油水(辛醇/水)分配系数的对数值: 无可用

17. 爆炸上限(%,V/V):无可用

18. 爆炸下限(%,V/V): 无可用

19. 溶解性:不溶于水

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。

MSDS

Version 1.2
Regulation (EC) No 1907/2006
1 - Product and Company Information
Product Name5-METHYLINDOLE-2-CARBOXYLIC AC - 250MG
ID
2 - Hazards Identification
3 - Composition/Information on Ingredients
Product NameCAS #EC noAnnex I
Index Number
5-METHYLINDOLE-2-CARBOXYLIC ACID 10241-97-1 NoneNone
FormulaC10H9NO2
Molecular Weight 175,1900 AMU
4 - First Aid Measures
AFTER INHALATION
If inhaled, remove to fresh air. If breathing becomes difficult,
call a physician.
AFTER SKIN CONTACT
In case of skin contact, flush with copious amounts of water for
at least 15 minutes. Remove contaminated clothing and shoes.
Call a physician.
AFTER EYE CONTACT
In case of contact with eyes, flush with copious amounts of
water for at least 15 minutes. Assure adequate flushing by
separating the eyelids with fingers. Call a physician.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
5 - Fire Fighting Measures
EXTINGUISHING MEDIA
ALDRICHwww.molbase.com
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.
6 - Accidental Release Measures
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear protective equipment.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.
7 - Handling and Storage
8 - Exposure Controls / Personal Protection
ENGINEERING CONTROLS
Mechanical exhaust required.
PERSONAL PROTECTIVE EQUIPMENT
Special Protective Measures: Wear appropriate government approved
respirator, chemical-resistant gloves, safety goggles, other
protective clothing.
9 - Physical and Chemical Properties
pH N/A
BP/BP RangeN/A
MP/MP Range234,000. - 235,000 °
C.
Flash PointN/A
FlammabilityN/A
Autoignition TempN/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion LimitsN/A
Vapor PressureN/A
Partition Coefficient N/A
ViscosityN/A
Vapor DensityN/A
Saturated Vapor Conc. N/A
Evaporation RateN/A
Bulk DensityN/A
Decomposition Temp.N/A
Solvent ContentN/A
Water ContentN/A
Surface TensionN/A
ConductivityN/A
Miscellaneous DataN/A
SolubilityN/A
10 - Stability and Reactivity
STABILITY
ALDRICHwww.molbase.com
Stable: Stable.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur
11 - Toxicological Information
ROUTE OF EXPOSURE
Multiple Routes: May cause irritation. May be harmful by
inhalation, ingestion, or skin absorption.
CONDITIONS AGGRAVATED BY EXPOSURE
The toxicological properties have not been thoroughly
investigated.
12 - Ecological Information
No data available.
13 - Disposal Considerations
SUBSTANCE DISPOSAL
Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental
regulations.
14 - Transport Information
RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.
15 - Regulatory Information
Caution: Substance not yet fully tested (EU).
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification
16 - Other Information
WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
ALDRICHwww.molbase.com
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICHwww.molbase.com
SECTION 16 - ADDITIONAL INFORMATION
N/A

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%

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率:50.28

2、 摩尔体积(cm3/mol):130.6

3、 等张比容(90.2K):370.4

4、 表面张力(dyne/cm):64.6

5、 极化率(10-24cm3):19.93

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:2

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:7

6.拓扑分子极性表面积53.1

7.重原子数量:13

8.表面电荷:0

9.复杂度:217

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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