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6-(2-Chlorophenyl)-6-oxohexanenitrile , CAS No.898767-78-7
주문 가능
Storage
Room temperature
Why this grade
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
보관 조건
Room temperature
이름과 식별자
| 정식 스마일 | C1=CC=C(C(=C1)C(=O)CCCCC#N)Cl |
|---|---|
| IUPAC Name | 6-(2-chlorophenyl)-6-oxohexanenitrile |
| InChIKey | FTMNNIPBDCQARI-UHFFFAOYSA-N |
| INCHI | 1S/C12H12ClNO/c13-11-7-4-3-6-10(11)12(15)8-2-1-5-9-14/h3-4,6-7H,1-2,5,8H2 |
| 이성체 SMILES | C1=CC=C(C(=C1)C(=O)CCCCC#N)Cl |
| PubChem CID | 24723842 |
| 분자량 | 221.68 |
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 Organic oxygen compounds
- 분류 Organooxygen compounds
- Subclass Carbonyl compounds
- Level5 Ketones
- Level6 Aryl ketones
- Level7 Phenylketones
- Level8 Alkyl-phenylketones
- Level7 Phenylketones
- Level6 Aryl ketones
- Level5 Ketones
- Subclass Carbonyl compounds
- 분류 Organooxygen compounds
- Superclass Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Butyrophenones Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Vinylogous halides Nitriles Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Nitrile - Carbonitrile - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 221.680 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 221.061 Da |
| Monoisotopic Mass | 221.061 Da |
| Topological Polar Surface Area | 40.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| 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 |
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리뷰
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How should this product be stored?
Store at room temperature.
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