61346-19-8

(5-硝基-1,2-二氢-3H-吲唑-3-酮,5-nitro-1H-indazol-3-ol)
5-硝基-1,2-二氢-3H-吲唑-3-酮结构式图片|61346-19-8结构式图片
5-硝基-1,2-二氢-3H-吲唑-3-酮
5-nitro-1H-indazol-3-ol
61346-19-8
C7H5N3O3
179.1329
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5-硝基-1,2-二氢-3H-吲唑-3-酮结构式
5-硝基-1,2-二氢-3H-吲唑-3-酮MOL
5374661

名称和标识符

MDLMFCD00012418
InChIKeyXGSFRTHYHRTUCC-UHFFFAOYSA-N
InchiInChI=1S/C7H5N3O3/c11-7-5-3-4(10(12)13)1-2-6(5)8-9-7/h1-3H,(H2,8,9,11)
SMILESOC1=NNC2=C1C=C(C=C2)[N+]([O-])=O

别名信息

- 中文别名 -

  • 1,2-二氢-5-硝基吲唑-3-酮
  • 5-硝基-1,2-二氢-3H-吲唑-3-酮

- 英文别名 -

  • 5-Nitro-1H-indazol-3(2H)-one
  • 1,2-DIHYDRO-5-NITRO-3H-INDAZOL-3-ONE
  • 3H-INDAZOL-3-ONE,1,2-DIHYDRO-5-NITRO-
  • 3-Hydroxy-5-nitro (1H)indazole
  • 5-Nitro-1,2-dihydro-3H-indazol-3-one
  • 5-nitro-1,2-dihydroindazol-3-one
  • 2,3-dihydro-5-nitro-1H-indazol-3-one
  • 5-Nitro-1,2-dihydro-indazol-3-on
  • 5-nitro-1,2-dihydro-indazol-3-one
  • 5-Nitro-1h-indazol-3-ol
  • 5-Nitro-3-oxoindazoline
  • 5-nitrohydroxy indazole
  • 5-Nitroindazolin-3-one
  • 5-Nitroindazolon
  • 6-Nitro-3-indazolinon
  • EINECS 262-728-7
  • nitrodihydroindazolone
  • AKOS005072445
  • InChI=1/C7H5N3O3/c11-7-5-3-4(10(12)13)1-2-6(5)8-9-7/h1-3H,(H2,8,9,11)
  • 1,2-Dihydro-5-nitroindazol-3-one
  • DB-053850
  • J-517855
  • 61346-19-8
  • 5-nitro-2,3-dihydro-1H-indazol-3-one
  • 3H-Indazol-3-one, 1,2-dihydro-5-nitro-
  • 5-Nitro-1,2-dihydro-3H-indazol-3-one #
  • SCHEMBL1573803
  • XGSFRTHYHRTUCC-UHFFFAOYSA-
  • STL134670
  • 3-HYDROXY-5-NITRO-1H-INDAZOLE
  • EA-0717
  • NS00053096
  • AKOS025149589
  • SCHEMBL5259225
  • CS-0085349
  • 3-hydroxy-5-nitro-4H-indazole
  • AB01096
  • DTXSID70210255
  • MFCD00012418
  • 2,3-Dihydro-5-nitro-1H-indazol-3-one
  • 5-nitro-1H-indazol-3-ol
  • 3H-Indazol-3-one,1,2-dihydro-5-nitro-
  • 5-Nitro-1,2-dihydro-indazol-3-one

物化性质

实验特性

LogP1.28760
PSA94.47000
熔点280-282°C

计算特性

精确分子量179.03300
氢键供体数量2
氢键受体数量3
可旋转化学键数量1
同位素质量179.03309103g/mol
重原子数量13
复杂度250
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
拓扑分子极性表面积87Ų

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

PubChemId5374661

参考资料

BeilsteinN185568

5-硝基-1,2-二氢-3H-吲唑-3-酮 MSDS

基础信息

Name:5-Nitro-3-indazolinone 97+% Material Safety Data Sheet
Synonym:
CAS:61346-19-8
Section 1 - Chemical Product ? MSDS Name:5-Nitro-3-indazolinone 97+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
61346-19-85-Nitro-3-indazolinone, 97+ %262-728-7
Hazard Symbols: Not available.
Risk Phrases:

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower lids.
Skin:
Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do NOT induce vomiting. Allow the victim to rinse his mouth and then to drink 2-4 cupfuls of water, and seek medical advice.
Inhalation:
Remove from exposure 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Autoignition Temperature: Not available.
Flash Point: Not available.
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA-approved (or equivalent) full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Not available.
Appearance: gold
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Vapor Density: Not available.
Evaporation Rate: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 278 deg C
Decomposition Temperature: Not available.
Solubility: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C7H5N3O3
Molecular Weight: 179.13

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 61346-19-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Nitro-3-indazolinone, 97+ % - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
? For further information, contact Fisher Scientific.

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
CDG/CPL
IMO
Not regulated as a hazardous material.
IATA
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Canadian TDG
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# 61346-19-8:
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 61346-19-8 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 61346-19-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
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