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(5-Bromo-1，3，4-thiadiazol-2-yl)methanol - ≥95% , CAS No.1339055-00-3
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GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
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
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
| Canonical Smiles | C(C1=NN=C(S1)Br)O |
|---|---|
| IUPAC Name | (5-bromo-1,3,4-thiadiazol-2-yl)methanol |
| InChIKey | NOACDUMFCRKIMP-UHFFFAOYSA-N |
| INCHI | 1S/C3H3BrN2OS/c4-3-6-5-2(1-7)8-3/h7H,1H2 |
| Isomeric SMILES | C(C1=NN=C(S1)Br)O |
| Alternate CAS | 1339055-00-3 |
| PubChem CID | 63384078 |
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 Organohalogen compounds
- Class Aryl halides
- Subclass Aryl bromides
- Class Aryl halides
- Superclass Organohalogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Aryl halides |
| Subclass | Aryl bromides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl bromides |
| Alternative Parents | Thiadiazoles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl bromide - Azole - Thiadiazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional 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 Weight | 195.040 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 193.915 Da |
| Monoisotopic Mass | 193.915 Da |
| Topological Polar Surface Area | 74.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 83.700 |
| 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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