ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE

Modify Date: 2024-01-02 23:55:56

ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE Structure
ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE structure
Common Name ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE
CAS Number 100491-29-0 Molecular Weight 382.721
Density 1.5±0.1 g/cm3 Boiling Point 502.5±50.0 °C at 760 mmHg
Molecular Formula C17H10ClF3N2O3 Melting Point 212-215ºC
MSDS N/A Flash Point 257.7±30.1 °C

 Names

Name ethyl 1-(2,4-difluorophenyl)-7-choro-6-fluoro-4-oxo-hydropyridino[2,3-b] pyridine-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 502.5±50.0 °C at 760 mmHg
Melting Point 212-215ºC
Molecular Formula C17H10ClF3N2O3
Molecular Weight 382.721
Flash Point 257.7±30.1 °C
Exact Mass 382.033203
PSA 61.19000
LogP 2.71
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.589

 MSDS

Name: Ethyl Material Safety Data Sheet
Synonym:
CAS: 100491-29-0
Section 1 - Chemical Product MSDS Name:Ethyl Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
100491-29-0 Ethyl-1-(2,4-difluorophenyl)-7-Cl-6-F- 99% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. 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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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# 100491-29-0: 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: Powder
Color: almost white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 212-215 C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C17H10ClF3N2O3
Molecular Weight: 382.5298

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acetic anhydride, acid chlorides, carbon dioxide.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 100491-29-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl-1-(2,4-difluorophenyl)-7-Cl-6-F-4-oxohydropyridino[2,3 - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 100491-29-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 100491-29-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 100491-29-0 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: Irritant;
Risk Phrases R36/37/38
Safety Phrases 37/39-26
HS Code 29339980

 Synthetic Route

~72%

ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE Structure

ETHYL 1-(2,4-DI...

CAS#:100491-29-0

Literature: Toyama Chemical Co., Ltd. Patent: US4704459 A1, 1987 ;

~89%

ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE Structure

ETHYL 1-(2,4-DI...

CAS#:100491-29-0

Literature: Chu, Daniel T. W.; Fernandes, Prabhavathi B.; Claiborne, Akiyo K.; Gracey, Eugene H.; Pernet, Andre G. Journal of Medicinal Chemistry, 1986 , vol. 29, # 11 p. 2364 - 2369

~%

ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE Structure

ETHYL 1-(2,4-DI...

CAS#:100491-29-0

Literature: Journal of Medicinal Chemistry, , vol. 29, # 11 p. 2364 - 2369

~%

ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE Structure

ETHYL 1-(2,4-DI...

CAS#:100491-29-0

Literature: Journal of Medicinal Chemistry, , vol. 29, # 11 p. 2364 - 2369

~%

ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE Structure

ETHYL 1-(2,4-DI...

CAS#:100491-29-0

Literature: Journal of Medicinal Chemistry, , vol. 29, # 11 p. 2364 - 2369

~%

ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE Structure

ETHYL 1-(2,4-DI...

CAS#:100491-29-0

Literature: Journal of Medicinal Chemistry, , vol. 29, # 11 p. 2364 - 2369

~%

ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE Structure

ETHYL 1-(2,4-DI...

CAS#:100491-29-0

Literature: Journal of Medicinal Chemistry, , vol. 35, # 3 p. 518 - 525

~%

ETHYL 1-(2,4-DIFLUOROPHENYL)-7-CHORO-6-FLUORO-4-OXO-HYDROPYRIDINO[2,3-B] PYRIDINE-3-CARBOXYLATE Structure

ETHYL 1-(2,4-DI...

CAS#:100491-29-0

Literature: Journal of Medicinal Chemistry, , vol. 35, # 3 p. 518 - 525

 Synonyms

MFCD01863285
Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester
Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
T66 BV EN GNJ CVO2 ER BF DF& HG IF
Ethyl 1-(2,4-difluorophenyl)-7-Cl-6-F-4-O-hydropyridino[2,3-b]pyridine-3-carboxylate
ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
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