2-Nitrochalcone - ≥97% , CAS No.7473-93-0

CAS: 7473-93-0 Cat. No.: N709667 Molecular Weight: 253.25 EC Number: 676-894-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
3-(2-Nitrophenyl)-1-phenylprop-2-en-1-one | (2E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
N709667-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$18.90
5g
N709667-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$47.90
25g
N709667-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$142.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
3-(2-Nitrophenyl)-1-phenylprop-2-en-1-one | (2E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2[N+](=O)[O-]
IUPAC Name(E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one
InChIKeyKTXHLWZQKQDFRF-ZHACJKMWSA-N
INCHI1S/C15H11NO3/c17-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)16(18)19/h1-11H/b11-10+
Isomeric SMILES C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]
Molecular Weight 253.25

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
SuperclassPhenylpropanoids and polyketides
ClassLinear 1,3-diarylpropanoids
SubclassChalcones and dihydrochalcones
Intermediate Tree Nodes Not available
Direct ParentRetrochalcones
Alternative Parents Nitrobenzenes  Styrenes  Nitroaromatic compounds  Benzoyl derivatives  Aryl ketones  Enones  Acryloyl compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Retrochalcone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Styrene - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A2780 (11979 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CAL-51 (262 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
L1210 (27553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P388 (20296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SensitivitySensitive to light,air sensitive
Melt Point(°C)121.0-127.0°C
Molecular Weight253.250 g/mol
XLogP33.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass253.074 Da
Monoisotopic Mass253.074 Da
Topological Polar Surface Area62.900 Ų
Heavy Atom Count19
Formal Charge0
Complexity353.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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