3-Methoxynaphthalene-2-boronic acid - ≥98% , CAS No.104115-76-6

CAS: 104115-76-6 Cat. No.: M178992 분자식: C₁₁H₁₁BO₃ 분자량: 202 EC 번호: 802-028-6

GRADE & PURITY ≥98%

Synonyms

DTXSID20447231 | J-512795 | (3-Methoxynaphthalen-2-yl)boronic acid;3-methoxynaphthalen-2-boronic acid | 3-methoxy-2-naphthylboronic acid | AMY186 | 3-Methoxynaphthalen-2-yl-2-boronic acid | MFCD12025968 | 3-methoxynaphthalen-2-ylboronic acid | SCHEMBL2202

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

DTXSID20447231 | J-512795 | (3-Methoxynaphthalen-2-yl)boronic acid;3-methoxynaphthalen-2-boronic acid | 3-methoxy-2-naphthylboronic acid | AMY186 | 3-Methoxynaphthalen-2-yl-2-boronic acid | MFCD12025968 | 3-methoxynaphthalen-2-ylboronic acid | SCHEMBL2202

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• 정식 스마일: B(C1=CC2=CC=CC=C2C=C1OC)(O)O
• IUPAC Name: (3-methoxynaphthalen-2-yl)boronic acid
• InChIKey: RHNSMLZROCLQBJ-UHFFFAOYSA-N
• INCHI: 1S/C11H11BO3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7,13-14H,1H3
• 이성체 SMILES: B(C1=CC2=CC=CC=C2C=C1OC)(O)O
• 분자량: 202
• Reaxy-Rn: 3290476
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3290476&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Boronic acids Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Phenol ether - Anisole - Alkyl aryl ether - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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): 153-155 ºC
• 분자량: 202.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.08 Da
• Monoisotopic Mass: 202.08 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 210.000
• 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

XLogP3

자주 묻는 질문

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 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 104115-76-6, the molecular formula is C11H11BO3, and the molecular weight is 202 g/mol. InChIKey RHNSMLZROCLQBJ-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.