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· · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 4-(2-hydroxyethyl)benzonitrile - ≥98% , CAS No.69395-13-7
Synonyms
A9176 | 2-(4-CYANOPHENYL)ETHAN-1-ONE | 4-cyanophenethyl alcohol | MFCD00052461 | SCHEMBL320278 | CHEBI:194819 | 2-(4-CYANOPHENYL)ETHANOL | BBL102762 | Benzonitrile,4-(2-hydroxyethyl)- | EN300-61341 | Z964982550 | p-cyanophenethylalcohol | FT-0616540 | JMD
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
개요 application：
4-(2-Hydroxyethyl)benzonitrile is used to produce 4-(2-bromo-ethyl)-benzonitrile. It is used as organic intermediate.
Specifications 동의어
A9176 | 2-(4-CYANOPHENYL)ETHAN-1-ONE | 4-cyanophenethyl alcohol | MFCD00052461 | SCHEMBL320278 | CHEBI:194819 | 2-(4-CYANOPHENYL)ETHANOL | BBL102762 | Benzonitrile,4-(2-hydroxyethyl)- | EN300-61341 | Z964982550 | p-cyanophenethylalcohol | FT-0616540 | JMD
이름과 식별자 Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488194045
정식 스마일
C1=CC(=CC=C1CCO)C#N
IUPAC Name
4-(2-hydroxyethyl)benzonitrile
InChIKey
RBSJBNYPTGMZIH-UHFFFAOYSA-N
INCHI
1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
이성체 SMILES
C1=CC(=CC=C1CCO)C#N
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4307327&ln=
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 → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids 분류 Benzene and substituted derivatives Subclass Benzonitriles Intermediate Tree Nodes Not available Direct Parent Benzonitriles Alternative Parents Nitriles Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D 구조 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 끓는점(°C) 116-118°/0.5mm Hg 분자량 147.170 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 147.068 Da Monoisotopic Mass 147.068 Da Topological Polar Surface Area 44.000 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 150.000 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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