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138907-68-3

138907-68-3 structure
138907-68-3 structure
  • Name: ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
  • Chemical Name: Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
  • CAS Number: 138907-68-3
  • Molecular Formula: C12H12FN3O2
  • Molecular Weight: 249.24100
  • Create Date: 2018-12-31 16:01:55
  • Modify Date: 2024-01-08 17:35:35

Name Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
Synonyms MFCD00173917
ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate
ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
Density 1.471g/cm3
Boiling Point 263.4ºC at 760 mmHg
Melting Point 153 °C
Molecular Formula C12H12FN3O2
Molecular Weight 249.24100
Flash Point 113.1ºC
Exact Mass 249.09100
PSA 70.14000
LogP 2.35150
Vapour Pressure 0.0103mmHg at 25°C
Index of Refraction 1.531
Name: Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS: 138907-68-3
Section 1 - Chemical Product MSDS Name:Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
138907-68-3 Ethyl 5-amino-1-(4-fluorophenyl)-1H-py 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Harmful if swallowed. 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:
Harmful if swallowed. May cause irritation of the digestive tract.
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:
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.
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:
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# 138907-68-3: 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: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 149 - 150 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:
Specific Gravity/Density:
Molecular Formula: C12H12FN3O2
Molecular Weight: 249

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acid chlorides.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 138907-68-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-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
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: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 22 Harmful if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 138907-68-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 138907-68-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 138907-68-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2933199090

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138907-68-3 structure

138907-68-3

Literature: CHROMA THERAPEUTICS LTD. Patent: WO2008/53136 A1, 2008 ; Location in patent: Page/Page column 35-36 ; WO 2008/053136 A1

~75%

138907-68-3 structure

138907-68-3

Literature: Pfizer Inc. Patent: US5064851 A1, 1991 ; US 5064851 A

~73%

138907-68-3 structure

138907-68-3

Literature: Sutherland, Hamish S.; Blaser, Adrian; Kmentova, Iveta; Franzblau, Scott G.; Wan, Baojie; Wang, Yuehong; Ma, Zhenkun; Palmer, Brian D.; Denny, William A.; Thompson, Andrew M. Journal of Medicinal Chemistry, 2010 , vol. 53, # 2 p. 855 - 866

~60%

138907-68-3 structure

138907-68-3

Literature: Das, Jagabandhu; Moquin, Robert V.; Dyckman, Alaric J.; Li, Tianle; Pitt, Sidney; Zhang, Rosemary; Shen, Ding Ren; McIntyre, Kim W.; Gillooly, Kathleen; Doweyko, Arthur M.; Newitt, John A.; Sack, John S.; Zhang, Hongjian; Kiefer, Susan E.; Kish, Kevin; McKinnon, Murray; Barrish, Joel C.; Dodd, John H.; Schieven, Gary L.; Leftheris, Katerina Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 23 p. 6886 - 6889

~%

138907-68-3 structure

138907-68-3

Literature: Journal of Medicinal Chemistry, , vol. 49, # 5 p. 1562 - 1575
HS Code 2933199090
Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%