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3'-Chloroacetophenone semicarbazone - ≥98% , CAS No.14760-30-6
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GRADE & PURITY ≥98%
Storage
Room temperature
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Why this grade
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships 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
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
| Canonical Smiles | CC(=NNC(=O)N)C1=CC(=CC=C1)Cl |
|---|---|
| IUPAC Name | [(Z)-1-(3-chlorophenyl)ethylideneamino]urea |
| InChIKey | FMBJODQYWAEYGJ-SDQBBNPISA-N |
| INCHI | 1S/C9H10ClN3O/c1-6(12-13-9(11)14)7-3-2-4-8(10)5-7/h2-5H,1H3,(H3,11,13,14)/b12-6- |
| Isomeric SMILES | C/C(=N/NC(=O)N)/C1=CC(=CC=C1)Cl |
| PubChem CID | 5385457 |
| Molecular Weight | 211.65 |
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
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 | 211.650 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 211.051 Da |
| Monoisotopic Mass | 211.051 Da |
| Topological Polar Surface Area | 67.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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