4-Hydroxy-3,5-diiodobenzonitrile - ≥97% , CAS No.1689-83-4

CAS: 1689-83-4 Cat. No.: I355782 Molecular Weight: 370.91 EC Number: 216-881-1
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
D97336 | Ioxynil 10 microg/mL in Acetonitrile | Bentrol | Loxynil | Caswell No. 353A | Iotox | Benzonitrile, 4-hydroxy-3,5-diiodo- | 8Y734M4V9E | Ioxynil | Trevespan | MFCD00016422 | Certol | Loxynil [German] | 2,6-Diiodo-4-cyanophenol | 4-Cyano-2,6-dijod
Storage
Protected from light,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
I355782-100mg
1
$14.90
250mg
I355782-250mg
1
$23.90
1g
I355782-1g
1
$60.90
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Protected from light,Room temperature Ships Normal 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
D97336 | Ioxynil 10 microg/mL in Acetonitrile | Bentrol | Loxynil | Caswell No. 353A | Iotox | Benzonitrile, 4-hydroxy-3, 5-diiodo- | 8Y734M4V9E | Ioxynil | Trevespan | MFCD00016422 | Certol | Loxynil [German] | 2, 6-Diiodo-4-cyanophenol | 4-Cyano-2, 6-dijod
Specifications & Purity
≥97%
Storage
Protected from light, Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesC1=C(C=C(C(=C1I)O)I)C#N
IUPAC Name4-hydroxy-3,5-diiodobenzonitrile
InChIKeyNRXQIUSYPAHGNM-UHFFFAOYSA-N
INCHI1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
Isomeric SMILES C1=C(C=C(C(=C1I)O)I)C#N
UN Number 2811
Packing Group II
Molecular Weight 370.91
Reaxy-Rn 2364041
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2364041&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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzonitriles
Intermediate Tree Nodes Not available
Direct ParentBenzonitriles
Alternative Parents O-iodophenols  Iodobenzenes  Aryl iodides  Nitriles  Organopnictogen compounds  Organooxygen compounds  Organoiodides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzonitrile - 2-halophenol - 2-iodophenol - Halobenzene - Iodobenzene - Phenol - Aryl halide - Aryl iodide - Nitrile - Carbonitrile - Organonitrogen compound - Organoiodide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors Nitrile herbicides
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 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
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POX2 Protoporphyrinogen oxidase, chloroplastic/mitochondrial (10 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Stellaria media (151 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Viola arvensis (13 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Veronica hederifolia (28 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scenedesmus acutus (534 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Galium aparine (42 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.

6 results found

Lot NumberCertificate TypeDateItem
C2507445Certificate of AnalysisOct 16, 2024 I355782
C2507446Certificate of AnalysisOct 16, 2024 I355782
C2507447Certificate of AnalysisOct 16, 2024 I355782
C2507448Certificate of AnalysisOct 16, 2024 I355782
C2507449Certificate of AnalysisOct 16, 2024 I355782
C2507450Certificate of AnalysisOct 16, 2024 I355782
Chemical and Physical Properties
SensitivityLight Sensitive
Melt Point(°C)212-213° C
Molecular Weight370.910 g/mol
XLogP32.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass370.83 Da
Monoisotopic Mass370.83 Da
Topological Polar Surface Area44.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity176.000
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
Reviews

Customer Reviews

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