4-하이드록시-3-메톡시벤조니트릴 - ≥98% , CAS No.4421-08-3

CAS: 4421-08-3 Cat. No.: H156992 분자식: C₈H₇NO₂ 분자량: 149.15 Beilstein Registry Number: 10398 EC 번호: 224-589-0

GRADE & PURITY ≥98%

Synonyms

2-methoxy-4-cyanophenol | 2-methoxy-4-cyano-phenol | FT-0618641 | NSC 158285 | EN300-07946 | MFCD00000474 | DTXSID20196070 | J-200068 | InChI=1/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H | Didesmethylchlorpromazine sulfoxide | 3-methoxy-4-hydroxybenzo

Storage

Room temperature

Shipped In

보통

개요

과붕산나트륨으로 처리하면 4-하이드록시-3-메톡시벤조니트릴이 4-하이드록시-3-메톡시벤자마이드를 생성합니다.

Specifications

동의어

2-methoxy-4-cyanophenol | 2-methoxy-4-cyano-phenol | FT-0618641 | NSC 158285 | EN300-07946 | MFCD00000474 | DTXSID20196070 | J-200068 | InChI=1/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H | Didesmethylchlorpromazine sulfoxide | 3-methoxy-4-hydroxybenzo

사양 및 순도

≥98%

보관 조건

Room temperature

배송

보통

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488185518
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185518
• 정식 스마일: COC1=C(C=CC(=C1)C#N)O
• IUPAC Name: 4-hydroxy-3-methoxybenzonitrile
• InChIKey: QJRWLNLUIAJTAD-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3
• 이성체 SMILES: COC1=C(C=CC(=C1)C#N)O
• 분자량: 149.15
• Beilstein: 10398
• Reaxy-Rn: 2691571
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691571&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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): 87 °C
• 분자량: 149.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 149.048 Da
• Monoisotopic Mass: 149.048 Da
• Topological Polar Surface Area: 53.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 172.000
• 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

참고 문헌

1. Qianqian Fan, Jiahui Li, Qi Cao, Chengwen Gu, Qian Liu, Xigao Jian, Zhihuan Weng.  (2024)  Bio-based liquid crystal epoxy resins: Toughening and strengthening of conventional epoxy resins with strategically extended spacer layers.  COMPOSITES COMMUNICATIONS,      [PMID:] [10.1016/j.coco.2024.102068]

2. Ge-liang Xie, Yang Cao, Sheng-ren Li, Qian-qian Lu, Wei Chen, Shuai Gao, Wei Qiu, Chao He, Zhen Fang, Lujiang Xu.  (2025)  BDE-Driven Sustainable Synthesis of Lignin-Derived Hydroxybenzonitriles via Tandem Green Cyanation and Gas-Phase Hydrodeoxygenation.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c04554]

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 4421-08-3, the molecular formula is C8H7NO2, and the molecular weight is 149.15 g/mol. InChIKey QJRWLNLUIAJTAD-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.