17630-76-1 (5-氯靛红,5-chloro-2,3-dihydro-1H-indole-2,3-dione)

CAS号:
17630-76-1
中文名称:
5-氯靛红
英文名称:
5-chloro-2,3-dihydro-1H-indole-2,3-dione
安全信息:
分子式:
C8H4ClNO2
分子量:
181.575860977173
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。

5-氯靛红(17630-76-1)名称与标识符

名称

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-;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;FT-0620321;MFCD00014567;Q27453018;5-chloranyl-1H-indole-2,3-dione;BP-12045;EN300-17212;CS-D1123;5-chloro-1H-indol-2,3-dione;FT-0657968;CHEBI:149904;STK053171;DB-031776;5-Chloroisatin-2,3-dione;AE-848/31767042;BBL027809;

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=CC2=C(C=1)C(C(N2)=O)=O
BRN:
383759

5-氯靛红(17630-76-1)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

5-氯靛红(17630-76-1)国际标准相关数据

EINECS:
135811

5-氯靛红(17630-76-1)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%

5-氯靛红(17630-76-1)推荐厂家 更多厂家(56)

5-氯靛红(17630-76-1)相关文献

5-氯靛红(17630-76-1)参考资料

Beilstein:
241-614-0
PubChem CID:

5-氯靛红(17630-76-1) 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 NamecontentEINECS#
17630-76-15-Chloroisatin95%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