메틸 1-나프토에이트 - ≥98% , CAS No.2459-24-7

CAS: 2459-24-7 Cat. No.: M168980 분자식: C₁₂H₁₀O₂ 분자량: 186.212 EC 번호: 695-423-6

GRADE & PURITY ≥98%

Synonyms

InChI=1/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 | Q63408692 | 1-Naphthoic acid, methyl ester | CAA45924 | naphthalene-1-carboxylic acid methyl ester | N0615 | D91749 | Methyl 1-naphthoate | AKOS008905557 | EN300-341832 | NSC23049 | NSC-2

Storage

실내 온도

Shipped In

보통

Specifications

동의어

InChI=1/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 | Q63408692 | 1-Naphthoic acid, methyl ester | CAA45924 | naphthalene-1-carboxylic acid methyl ester | N0615 | D91749 | Methyl 1-naphthoate | AKOS008905557 | EN300-341832 | NSC23049 | NSC-2

사양 및 순도

≥98%

보관 조건

실내 온도

배송

보통

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504756825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756825
• 정식 스마일: COC(=O)C1=CC=CC2=CC=CC=C21
• IUPAC Name: methyl naphthalene-1-carboxylate
• InChIKey: HMRROBKAACRWBP-UHFFFAOYSA-N
• INCHI: 1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
• 이성체 SMILES: COC(=O)C1=CC=CC2=CC=CC=C21
• 분자량: 186.212
• Reaxy-Rn: 1868204
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868204&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids and derivatives
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalenecarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

• 끓는점(°C): 169°C/20mmHg
• 분자량: 186.210 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.068 Da
• Monoisotopic Mass: 186.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 212.000
• 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 ≥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 2459-24-7, the molecular formula is C12H10O2, and the molecular weight is 186.212 g/mol. InChIKey HMRROBKAACRWBP-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.