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5-氯靛红 | 17630-76-1

5-氯靛红
5-chloro-2,3-dihydro-1H-indole-2,3-dione
17630-76-1
C8H4ClNO2
181.5759
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5-氯靛红结构式
5-氯靛红MOL
87203
简介
5-氯靛红为黄色结晶,熔点254-258℃,相对密度1.519g/cm3。对眼睛、呼吸系统和皮肤有刺激性,如不慎与眼睛接触后,请立即用大量清水冲洗并征求医生意见,操作时穿上适当de防护服。5-氯靛红是重要的医药中间体。
名称和标识符
MDL MFCD00014567
InChIKey XHDJYQWGFIBCEP-UHFFFAOYSA-N
Inchi 1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
SMILES ClC1C([H])=C([H])C2=C(C=1[H])C(C(N2[H])=O)=O
BRN 383759
别名信息
- 中文别名 -
  • 5-氯靛红
  • 5-氯吲哚2,3-二酮
  • 5-氯-1H-吲哚-2,3-二酮
  • 5-氯-2,3-二酮-吲哚
  • 5-氯-1H-吲哚-2
  • 5-氯吲哚满二酮,5氯-2,3-吲哚二酮
  • 5-氯靛红,98%
  • 5-氯靛红, 97+%
- 英文别名 -
  • 5-Chloroindoline-2,3-dione
  • TIMTEC-BB SBB003741
  • 5-CHLORO-1H-INDOLE-2,3-DIONE
  • 5-CHLORO-2,3-INDOLINEDIONE
  • 5-CHLOROINDOLE-2,3-DIONE
  • 5-CHLOR-2,3-DIOXOINDOLIN
  • 5-CHLOR-2,3-INDOLINDION
  • 5-Chloroisatin
  • CL039
  • NSC 135811
  • 5-choroisatin
  • 5-Chlorisatin
  • AURORA KA-5424
  • 5-CHLORISATIDE
  • BUTTPARK 50\07-91
  • AKOS BBS-00000996
  • 5-Chloroisatin,95%
  • 1H-Indole-2,3-dione, 5-chloro-
  • 5-chloro-2,3-dihydro-1H-indole-2,3-dione
  • 5-CHLORO ISATIN
  • XHDJYQWGFIBCEP-UHFFFAOYSA-N
  • 5-chlor-1h-indol-2,3-dion
  • 2HQ
  • NSC135811
  • PubChem13607
  • 5-chloro-2,3-dioxoindolin
  • 5-Chloroindolin-2,3-dione
  • 1H-Indole-2, 5-chloro-
  • 5-Chloro-1H-indole-2,3-dione
  • 5-CHLOROISATIN
  • SY001523
  • Isatin-based compound, 33
  • C-5120
  • AC-5467
  • PD182524
  • A812172
  • Z56899110
  • EINECS 241-614-0
  • InChI=1/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12
  • AM20061085
  • 5-Chloroisatin, 97%
  • STR01586
  • CHEMBL327012
  • BCP06904
  • 176861-97-5
  • F0348-3912
  • NS00025802
  • DTXSID00170111
  • SR-01000550582-1
  • NSC-135811
  • AC-24972
  • SCHEMBL134453
  • BDBM22813
  • 5-Chloro-1H-indole-2,3-dione #
  • AKOS000200896
  • FS-1030
  • SR-01000550582
  • 17630-76-1
  • 5-chloroindoline-2,3-dione
  • FT-0620321
  • 5-chlorisatin
  • MFCD00014567
  • Q27453018
  • 5-chlor-2,3-dioxoindolin
  • 5-chloranyl-1H-indole-2,3-dione
  • BP-12045
  • EN300-17212
  • CS-D1123
  • 5-chloro-1H-indol-2,3-dione
  • FT-0657968
  • CHEBI:149904
物化性质
实验特性
LogP 1.61280
PSA 46.17000
折射率 1.5560 (estimate)
水溶性 不溶
沸点 °Cat760mmHg
熔点 254-258 °C (lit.)
闪点 °C
颜色与性状 Solid
溶解性 不溶于水
密度 1.3743 (rough estimate)
计算特性
精确分子量 180.99300
氢键供体数量 1
氢键受体数量 2
可旋转化学键数量 0
同位素质量 180.993
重原子数量 12
复杂度 241
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.3
互变异构体数量 5
表面电荷 0
拓扑分子极性表面积 46.2
国际标准相关数据
EINECS 135811
海关数据
海关编码 2933990090
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

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%

相关文献
专业数据库参考
PubChemId 87203
参考资料
Beilstein 241-614-0
5-氯靛红 MSDS
基础信息
Name: 5-Chloroisatin 95% Material Safety Data Sheet
Synonym:
CAS: 17630-76-1
Section 1 - Chemical Product ? MSDS Name:5-Chloroisatin 95% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17630-76-1 5-Chloroisatin 95% 241-614-0
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. 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:

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# 17630-76-1: 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: red - rust
Odor: characteristic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 247 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: C8H4ClNO2
Molecular Weight: 181.4865

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 17630-76-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Chloroisatin - 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# 17630-76-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17630-76-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17630-76-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
化合物详情(旧版)

5-氯靛红性质

外观:黄色结晶
熔点:247-252℃

产品用途

应用领域







化学品安全说明书(MSDS)



储运特性





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