5-Nitro-1,2-dihydro-3H-indazol-3-one

Modify Date: 2024-01-08 17:33:13

5-Nitro-1,2-dihydro-3H-indazol-3-one Structure
5-Nitro-1,2-dihydro-3H-indazol-3-one structure
Common Name 5-Nitro-1,2-dihydro-3H-indazol-3-one
CAS Number 61346-19-8 Molecular Weight 179.133
Density 1.7±0.1 g/cm3 Boiling Point 477.4±25.0 °C at 760 mmHg
Molecular Formula C7H5N3O3 Melting Point 280-282ºC
MSDS N/A Flash Point 242.5±23.2 °C

 Names

Name 5-nitro-1,2-dihydroindazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 477.4±25.0 °C at 760 mmHg
Melting Point 280-282ºC
Molecular Formula C7H5N3O3
Molecular Weight 179.133
Flash Point 242.5±23.2 °C
Exact Mass 179.033096
PSA 94.47000
LogP 1.96
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.800

 MSDS

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 Name content EINECS#
61346-19-8 5-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

 Safety Information

Hazard Codes Xi
HS Code 2933990090

 Synthetic Route

~67%

5-Nitro-1,2-dihydro-3H-indazol-3-one Structure

5-Nitro-1,2-dih...

CAS#:61346-19-8

Literature: BRISTOL-MYERS SQUIBB COMPANY Patent: WO2008/79759 A1, 2008 ; Location in patent: Page/Page column 129-130 ; WO 2008/079759 A1

~27%

5-Nitro-1,2-dihydro-3H-indazol-3-one Structure

5-Nitro-1,2-dih...

CAS#:61346-19-8

Literature: GLAXOSMITHKLINE LLC; QIN, Donghui; CHEUNG, Mui; JOSHI, Hemant; TANGIRALA, Raghuram; BETHI, Sridhar, Reddy Patent: WO2012/162129 A1, 2012 ; Location in patent: Page/Page column 40-41 ; WO 2012/162129 A1

~%

5-Nitro-1,2-dihydro-3H-indazol-3-one Structure

5-Nitro-1,2-dih...

CAS#:61346-19-8

Literature: Journal of the Chemical Society, , vol. 119, p. 1057

 Customs

HS Code 2933990090
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%

 Synonyms

5-Nitroindazolon
5-Nitro-1,2-dihydro-3H-indazol-3-one
2,3-dihydro-5-nitro-1H-indazol-3-one
EINECS 262-728-7
5-nitro-1H-indazol-3(2H)-one
5-Nitro-3-oxoindazoline
5-Nitro-1,2-dihydro-indazol-3-on
5-Nitroindazolin-3-one
5-nitro-1,2-dihydro-indazol-3-one
3-Hydroxy-5-nitro (1H)indazole
6-Nitro-3-indazolinon
3H-Indazol-3-one, 1,2-dihydro-5-nitro-
nitrodihydroindazolone
5-nitrohydroxy indazole