Ethyl 7-nitro-1H-indole-2-carboxylate

Modify Date: 2024-01-02 18:29:42

Ethyl 7-nitro-1H-indole-2-carboxylate Structure
Ethyl 7-nitro-1H-indole-2-carboxylate structure
Common Name Ethyl 7-nitro-1H-indole-2-carboxylate
CAS Number 6960-46-9 Molecular Weight 234.208
Density 1.4±0.1 g/cm3 Boiling Point 429.5±25.0 °C at 760 mmHg
Molecular Formula C11H10N2O4 Melting Point 90-96 °C
MSDS N/A Flash Point 213.5±23.2 °C

 Names

Name Ethyl 7-nitroindole-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 429.5±25.0 °C at 760 mmHg
Melting Point 90-96 °C
Molecular Formula C11H10N2O4
Molecular Weight 234.208
Flash Point 213.5±23.2 °C
Exact Mass 234.064056
PSA 87.91000
LogP 3.59
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.652

 MSDS

Name: Ethyl 7-nitroindole-2-carboxylate 95+% Material Safety Data Sheet
Synonym: None
CAS: 6960-46-9
Section 1 - Chemical Product MSDS Name:Ethyl 7-nitroindole-2-carboxylate 95+% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6960-46-9 Ethyl 7-nitroindole-2-carboxylate 95+ unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6960-46-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: pale yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 90.00 - 92.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: negligible
Specific Gravity/Density: Not available.
Molecular Formula: C11H10N2O4
Molecular Weight: 234.21

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6960-46-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 7-nitroindole-2-carboxylate - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 6960-46-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6960-46-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6960-46-9 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
Safety Phrases S24/25
HS Code 2933990090

 Synthetic Route

~93%

Ethyl 7-nitro-1H-indole-2-carboxylate Structure

Ethyl 7-nitro-1...

CAS#:6960-46-9

Literature: Purzer Pharmaceutical Co., Ltd. Patent: EP2366687 A2, 2011 ; Location in patent: Page/Page column 8-10 ;

~74%

Ethyl 7-nitro-1H-indole-2-carboxylate Structure

Ethyl 7-nitro-1...

CAS#:6960-46-9

Literature: Narayana; Ashalatha; Vijaya Raj; Fernandes; Sarojini Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 15 p. 4638 - 4644

~78%

Ethyl 7-nitro-1H-indole-2-carboxylate Structure

Ethyl 7-nitro-1...

CAS#:6960-46-9

Literature: Murakami; Watanabe; Yokoyama; Naomachi; Iwase; Morihata; Okuyama; Kamakura; Takahashi; Atoda; Tojo; Morita; Ishii Chemical and Pharmaceutical Bulletin, 1993 , vol. 41, # 11 p. 1910 - 1919

~78%

Ethyl 7-nitro-1H-indole-2-carboxylate Structure

Ethyl 7-nitro-1...

CAS#:6960-46-9

Literature: Sudhakara; Jayadevappa; Mahadevan; Hulikal, Vijaykumar Synthetic Communications, 2009 , vol. 39, # 14 p. 2506 - 2515

~%

Ethyl 7-nitro-1H-indole-2-carboxylate Structure

Ethyl 7-nitro-1...

CAS#:6960-46-9

Literature: Chemical and Pharmaceutical Bulletin, , vol. 41, # 11 p. 1910 - 1919

~%

Ethyl 7-nitro-1H-indole-2-carboxylate Structure

Ethyl 7-nitro-1...

CAS#:6960-46-9

Literature: Bioorganic and Medicinal Chemistry, , vol. 22, # 6 p. 1850 - 1862

 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

1H-Indole-2-carboxylic acid, 7-nitro-, ethyl ester
Ethyl 7-nitro-1H-indole-2-carboxylate
MFCD00216475
Indole-2-carboxylic acid, 7-nitro-, ethyl ester