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(4-bromo-2-iodophenyl)methanol - ≥99% , CAS No.1261438-69-0
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Storage
Store at 2-8°C
Shipped In
Wet ice
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Why this grade
≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at 2-8°C 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
Specifications & Purity
≥99%
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
≥99%
Names and Identifiers
| Canonical Smiles | C1=CC(=C(C=C1Br)I)CO |
|---|---|
| IUPAC Name | (4-bromo-2-iodophenyl)methanol |
| InChIKey | PHCDQWNJXJCVFN-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrIO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 |
| Isomeric SMILES | C1=CC(=C(C=C1Br)I)CO |
| PubChem CID | 91658984 |
| Molecular Weight | 312.93 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Class Benzene and substituted derivatives
- Subclass Benzyl alcohols
- Class Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyl alcohols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl alcohols |
| Alternative Parents | Iodobenzenes Bromobenzenes Organoiodides Organobromides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl alcohol - Iodobenzene - Halobenzene - Bromobenzene - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organoiodide - Organobromide - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure. |
| 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 Weight | 312.930 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 311.865 Da |
| Monoisotopic Mass | 311.865 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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