1-[4-Nitro-2-(trifluoromethyl)phenyl]piperazine - ≥95% , CAS No.381242-61-1

CAS: 381242-61-1 Cat. No.: N184161 Molecular Weight: 275.23 EC Number: 673-564-4
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
DS-0036 | 1-(4-Nitro-2-(trifluoromethyl)phenyl)piperazine | J-008991 | MFCD01933012 | EU-0037776 | A824023 | C11H12F3N3O2 | GS1557 | KMGDPTUNJDHJFZ-UHFFFAOYSA-N | n-[4-nitro-2-(trifluoromethyl)phenyl]piperazine | AKOS003666419 | EN300-66350 | DTXSID303779
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
N184161-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$9.90
1g
N184161-1g
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$19.90
5g
N184161-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$93.90
25g
N184161-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$412.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DS-0036 | 1-(4-Nitro-2-(trifluoromethyl)phenyl)piperazine | J-008991 | MFCD01933012 | EU-0037776 | A824023 | C11H12F3N3O2 | GS1557 | KMGDPTUNJDHJFZ-UHFFFAOYSA-N | n-[4-nitro-2-(trifluoromethyl)phenyl]piperazine | AKOS003666419 | EN300-66350 | DTXSID303779
Specifications & Purity
≥95%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesC1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F
IUPAC Name1-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
InChIKeyKMGDPTUNJDHJFZ-UHFFFAOYSA-N
INCHI1S/C11H12F3N3O2/c12-11(13,14)9-7-8(17(18)19)1-2-10(9)16-5-3-15-4-6-16/h1-2,7,15H,3-6H2
Isomeric SMILES C1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F
Molecular Weight 275.23
Reaxy-Rn 19950452
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19950452&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperazines
Alternative Parents N-arylpiperazines  Trifluoromethylbenzenes  Nitrobenzenes  Nitroaromatic compounds  Dialkylarylamines  Aniline and substituted anilines  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Dialkylamines  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Tertiary amine - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Secondary amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Organopnictogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight275.230 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass275.088 Da
Monoisotopic Mass275.088 Da
Topological Polar Surface Area61.100 Ų
Heavy Atom Count19
Formal Charge0
Complexity326.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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