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224,000+ 연구 제품 · Triple ISO certified · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송

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1-(Pyrimidin-4-yl)ethanone - ≥95% , CAS No.39870-05-8

1-(Pyrimidin-4-yl)ethanone - ≥95% , CAS No.39870-05-8

Name: 1-(Pyrimidin-4-yl)ethanone - ≥95% , CAS No.39870-05-8
SKU: E697974
Availability: InStock

CAS: 39870-05-8 Cat. No.: E697974 분자식: C₆H₆N₂O 분자량: 122.12 PubChem CID: 538060

COA

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1-(Pyrimidin-4-yl)ethanone - ≥95% CAS No(39870-05-8) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥95%

Synonyms

1-Pyrimidin-4-yl-ethanone | 4-Acetylpyrimidine | 1-pyrimidin-4-ylethanone

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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

동의어

1-Pyrimidin-4-yl-ethanone | 4-Acetylpyrimidine | 1-pyrimidin-4-ylethanone

사양 및 순도

≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥95%

이름과 식별자

Pubchem Sid

528754158

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528754158

정식 스마일

CC(=O)C1=NC=NC=C1

IUPAC Name

1-pyrimidin-4-ylethanone

InChIKey

UZKADDSUUBRMKO-UHFFFAOYSA-N

INCHI

1S/C6H6N2O/c1-5(9)6-2-3-7-4-8-6/h2-4H,1H3

이성체 SMILES

CC(=O)C1=NC=NC=C1

대체 CAS

39870-05-8

PubChem CID

538060

분자량

122.12

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

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - 분류 Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
분류	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
설명	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D 구조

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Lot Number	Certificate Type	날짜	항목
J2430327	Certificate of Analysis	Sep 23, 2024	E697974
J2430328	Certificate of Analysis	Sep 23, 2024	E697974
J2430329	Certificate of Analysis	Sep 23, 2024	E697974
J2430331	Certificate of Analysis	Sep 23, 2024	E697974
J2430332	Certificate of Analysis	Sep 23, 2024	E697974
J2430334	Certificate of Analysis	Sep 23, 2024	E697974

분자량	122.120 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	122.048 Da
Monoisotopic Mass	122.048 Da
Topological Polar Surface Area	42.900 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114.000
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