4-시아노벤조페논 - ≥97% , CAS No.1503-49-7

CAS: 1503-49-7 Cat. No.: C167442 분자식: C₁₄H₉NO 분자량: 207.23 EC 번호: 216-126-6

GRADE & PURITY ≥97%

Synonyms

(S)-tert-butyl2-(tert-butoxycarbonylamino)-4-mercaptobutanoate | 4-Cyanobenzophenone | 4-Cyano-benzophenone | AKOS015916254 | p-Cyanobenzophenone | 4-Cyano-benzophenon | p-Benzoylbenzonitrile | VD6QK8C72H | 4-Cyanobenzophenone, 97% | C72859 | (4-Cyanophen

Storage

실내 온도

Shipped In

보통

개요

4-시아노벤조페논은 4-시아노벤조일 클로라이드를 벤젠으로 처리하여 제조할 수 있는 벤조페논 유도체입니다. 전기 화학적 조건에서 환원하면 4-t-부틸-벤조페논과 1-(4-시아노페닐)-2,2-딤틸-1-페닐프로판-1-올이 형성됩니다. 노르보르나디엔(N)→쿼드리시아네(Q) 및 Q→N 광 이성질체화에 대한 삼중 감광제로서의 효율이 평가되었습니다.

Specifications

동의어

(S)-tert-butyl2-(tert-butoxycarbonylamino)-4-mercaptobutanoate | 4-Cyanobenzophenone | 4-Cyano-benzophenone | AKOS015916254 | p-Cyanobenzophenone | 4-Cyano-benzophenon | p-Benzoylbenzonitrile | VD6QK8C72H | 4-Cyanobenzophenone, 97% | C72859 | (4-Cyanophen

사양 및 순도

≥97%

보관 조건

실내 온도

배송

보통

순수함

≥97%

이름과 식별자

• Pubchem Sid: 488184834
• 정식 스마일: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N
• IUPAC Name: 4-benzoylbenzonitrile
• InChIKey: YSZWJJANSNFQMM-UHFFFAOYSA-N
• INCHI: 1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H
• 이성체 SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N
• WGK 독일: 3
• 분자량: 207.23
• Reaxy-Rn: 641181
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=641181&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Benzonitriles Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzonitrile - Aryl ketone - Benzoyl - Ketone - Nitrile - Carbonitrile - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 녹는점(°C): 110-114℃
• 분자량: 207.230 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 207.068 Da
• Monoisotopic Mass: 207.068 Da
• Topological Polar Surface Area: 40.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 287.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1503-49-7, the molecular formula is C14H9NO, and the molecular weight is 207.23 g/mol. InChIKey YSZWJJANSNFQMM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.