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3,5-Difluoro-2-hydroxybenzonitrile - ≥95% , CAS No.862088-17-3
주문 가능
GRADE & PURITY ≥95%
Storage
Room temperature,Argon charged
Shipped In
Normal
Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature,Argon charged 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
사양 및 순도
≥95%
보관 조건
Room temperature,Argon charged
배송
Normal
순수함
≥95%
이름과 식별자
정식 스마일
C1=C(C=C(C(=C1C#N)O)F)F
IUPAC Name
3,5-difluoro-2-hydroxybenzonitrile
InChIKey
QSUYDDDUPBMYHN-UHFFFAOYSA-N
INCHI
1S/C7H3F2NO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H
이성체 SMILES
C1=C(C=C(C(=C1C#N)O)F)F
분자량
155.10
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
- 분류 Benzene and substituted derivatives
- Subclass Benzonitriles
- 분류 Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | P-fluorophenols O-fluorophenols Fluorobenzenes Aryl fluorides Nitriles Organooxygen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - 4-halophenol - 2-halophenol - 2-fluorophenol - 4-fluorophenol - Fluorobenzene - Halobenzene - Phenol - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| 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
| 녹는점(°C) | 100-104 |
|---|---|
| 분자량 | 155.100 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 155.018 Da |
| Monoisotopic Mass | 155.018 Da |
| Topological Polar Surface Area | 44.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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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