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5591-70-8

5591-70-8 structure
5591-70-8 structure
  • Name: 4-PHENYL-1H-PYRAZOL-3-AMINE
  • Chemical Name: 4-phenyl-1h-pyrazol-3-ylamine
  • CAS Number: 5591-70-8
  • Molecular Formula: C9H9N3
  • Molecular Weight: 159.18800
  • Create Date: 2018-03-18 08:00:00
  • Modify Date: 2024-01-10 09:44:10

Name 4-phenyl-1h-pyrazol-3-ylamine
Synonyms skf1572
4-Phenylpyrazol-3-amine
3(or5)-amino-4-phenyl-pyrazol
4-Phenyl-1H-pyrazol-3-amine
4-(4-nitrophenyl)-1H-pyrazol-3-amine
USAF EL-34
3-AMINO-4-PHENYLPYRAZOLE
3(5)-amino-4-phenyl-1H-pyrazole
3-amino-4-phenyl-1H-pyrazol
3-AMINO-4-PHENYL-1H-PYRAZOLE
5-Amino-4-phenyl-1H-pyrazole
4-phenyl-1h-pyrazol-4-amin
3-amino-4-phenyl-pyrazol
Density 1.238g/cm3
Boiling Point 394.4ºC at 760mmHg
Melting Point 170-173 ℃
Molecular Formula C9H9N3
Molecular Weight 159.18800
Flash Point 220.9ºC
Exact Mass 159.08000
PSA 54.70000
LogP 2.24010
Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 3-Amino-4-phenyl-1h-pyrazole
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302:Harmful if swallowed
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:3-Amino-4-phenyl-1h-pyrazole
CAS number:5591-70-8

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels, refrigerated.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
No data
Boiling point:
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C9H9N3
Molecular weight: 159.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6104000
CHEMICAL NAME :
Pyrazole, 3-amino-4-phenyl-
CAS REGISTRY NUMBER :
5591-70-8
LAST UPDATED :
199803
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N3
MOLECULAR WEIGHT :
159.21
WISWESSER LINE NOTATION :
T5MNJ CZ DR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,259,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Hazard Codes C
Risk Phrases 22-36/37/38
RIDADR NONH for all modes of transport

~67%

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Literature: Anwar, Hany Fakhry; Fleita, Daisy Hanna; Kolshorn, Heinz; Meier, Herbert; Elnagdi, Mohamed Hilmy Arkivoc, 2006 , vol. 2006, # 15 p. 133 - 141

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Literature: US4824834 A1, ;

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Literature: Salaheldin, Abdellatif M.; Alphy, Maryana K. Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 2 p. 307 - 310

~66%

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Literature: Velankar, Avdhoot D.; Quintini, Gianluca; Prabhu, Arati; Weber, Alexander; Hunaeus, Gundula; Voland, Britta; Wuest, Monika; Orjeda, Christian; Harel, Dipak; Varghese, Shaji; Gore, Vikas; Patil, Meenal; Gayke, Deepak; Herdemann, Matthias; Heit, Isabelle; Zaliani, Andrea Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 12 p. 4547 - 4559

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Literature: Ege, Guenter; Franz, Hermann Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 1267 - 1273

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Literature: Russian Journal of Organic Chemistry, , vol. 48, # 8 p. 1111 - 1120 Zh. Org. Khim., , vol. 48, # 8 p. 1113 - 1121,9

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Literature: Chemistry Letters, , vol. 42, # 1 p. 40 - 42