1-Methyl-4-(3-nitrophenyl)piperazine

Modify Date: 2024-01-10 16:00:19

1-Methyl-4-(3-nitrophenyl)piperazine Structure
1-Methyl-4-(3-nitrophenyl)piperazine structure
Common Name 1-Methyl-4-(3-nitrophenyl)piperazine
CAS Number 148546-97-8 Molecular Weight 221.25600
Density 1.198g/cm3 Boiling Point 351.9ºC at 760mmHg
Molecular Formula C11H15N3O2 Melting Point 59.5-62.5ºC
MSDS N/A Flash Point 166.6ºC

 Names

Name 1-methyl-4-(3-nitrophenyl)piperazine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.198g/cm3
Boiling Point 351.9ºC at 760mmHg
Melting Point 59.5-62.5ºC
Molecular Formula C11H15N3O2
Molecular Weight 221.25600
Flash Point 166.6ºC
Exact Mass 221.11600
PSA 52.30000
LogP 1.87270
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.578

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 1-Methyl-4-(3-nitrophenyl)piperazine
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:1-Methyl-4-(3-nitrophenyl)piperazine
CAS number:148546-97-8

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.
Store in closed vessels.
Storage:

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
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C11H15N3O2
Molecular weight:221.3

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

 Safety Information

Hazard Codes Xi
HS Code 2933599090

 Synthetic Route

~94%

1-Methyl-4-(3-nitrophenyl)piperazine Structure

1-Methyl-4-(3-n...

CAS#:148546-97-8

Literature: THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION; COLORADO STATE UNIVERSITY RESEARCH FOUNDATION Patent: WO2005/7625 A2, 2005 ; Location in patent: Page 62 ;

~96%

1-Methyl-4-(3-nitrophenyl)piperazine Structure

1-Methyl-4-(3-n...

CAS#:148546-97-8

Literature: Romanelli; Manetti; Scapecchi; Borea; Dei; Bartolini; Ghelardini; Gualtieri; Guandalini; Varani Journal of Medicinal Chemistry, 2001 , vol. 44, # 23 p. 3946 - 3955

~35%

1-Methyl-4-(3-nitrophenyl)piperazine Structure

1-Methyl-4-(3-n...

CAS#:148546-97-8

Literature: AURIGENE DISCOVERY TECHNOLOGIES LIMITED; SENGUPTA, Saumitra; RAJAGOPALAN, Srinivasan; BELAVAGI, Ningaraddi; RAMACHANDRA, Muralidhara Patent: WO2012/59932 A1, 2012 ; Location in patent: Page/Page column 126-127 ; WO 2012/059932 A1

~92%

1-Methyl-4-(3-nitrophenyl)piperazine Structure

1-Methyl-4-(3-n...

CAS#:148546-97-8

Literature: Nguyen Thi, Hanh Thuy; Lee, Chong-Yew; Teruya, Kenta; Ong, Wei-Yi; Doh-ura, Katsumi; Go, Mei-Lin Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 14 p. 6737 - 6746

~76%

1-Methyl-4-(3-nitrophenyl)piperazine Structure

1-Methyl-4-(3-n...

CAS#:148546-97-8

Literature: IRM LLC Patent: US2005/124637 A1, 2005 ; Location in patent: Page/Page column 12 ; US 20050124637 A1

~%

1-Methyl-4-(3-nitrophenyl)piperazine Structure

1-Methyl-4-(3-n...

CAS#:148546-97-8

Literature: US5556969 A1, ; US 5556969 A

 Customs

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1-methyl-4-(3-nitro-phenyl)-piperazine
MFCD08435858
1-(4-methyl-piperazin-1-yl)-3-nitrobenzene
3-(4-methylpiperazine-1-yl)nitrobenzene
ZLB0187
3-(N-Methyl-N'-piperazinyl)-1-nitrobenzene
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