(E)-1-Fluoro-4-(2-nitrovinyl)benzene - ≥98% , CAS No.5153-69-5

CAS: 5153-69-5 Cat. No.: E589326 Molecular Weight: 167.14 EC Number: 637-102-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
Benzene, 1-fluoro-4-(2-nitroethenyl)- | 1-fluoro-4-(2-nitrovinyl)benzene | alpha,alpha-Dimethyl-beta-hydroxypropionaldehyde | AMY13658 | DTXSID6060501 | trans p-Fluorophenyl-1 nitro-2 ethylene | AKOS017269588 | NSC 121154 | Styrene, p-fluoro-beta-nitro- |
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
E589326-5g
2

$25.90

$38.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated 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.

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Literature proof

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

Specifications

Synonyms
Benzene, 1-fluoro-4-(2-nitroethenyl)- | 1-fluoro-4-(2-nitrovinyl)benzene | alpha, alpha-Dimethyl-beta-hydroxypropionaldehyde | AMY13658 | DTXSID6060501 | trans p-Fluorophenyl-1 nitro-2 ethylene | AKOS017269588 | NSC 121154 | Styrene, p-fluoro-beta-nitro- |
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=CC(=CC=C1C=C[N+](=O)[O-])F
IUPAC Name1-fluoro-4-[(E)-2-nitroethenyl]benzene
InChIKeyVRFSQVFSQAYHRU-AATRIKPKSA-N
INCHI1S/C8H6FNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+
Isomeric SMILES C1=CC(=CC=C1/C=C/[N+](=O)[O-])F
NSC Number NSC Number': ['121154
Molecular Weight 167.14
Reaxy-Rn 2045554
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045554&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassStyrenes
Intermediate Tree Nodes Not available
Direct ParentStyrenes
Alternative Parents Fluorobenzenes  Aryl fluorides  C-nitro compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Styrene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
C8166 (1658 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Helicobacter pylori (3113 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:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
F2503333Certificate of AnalysisJun 13, 2025 E589326
F2503334Certificate of AnalysisJun 13, 2025 E589326
Chemical and Physical Properties
Molecular Weight167.140 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass167.038 Da
Monoisotopic Mass167.038 Da
Topological Polar Surface Area45.800 Ų
Heavy Atom Count12
Formal Charge0
Complexity180.000
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
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