2-Methoxy-4-nitrobenzaldehyde - ≥98% , CAS No.136507-15-8

CAS: 136507-15-8 Cat. No.: M157808 분자식: C₈H₇NO₄ 분자량: 181.15 EC 번호: 627-961-4

등급 & 순도 ≥98%

Synonyms

SB33045 | EN300-88319 | 2-Methoxy-4-nitrobenzaldehyde, 97% | SCHEMBL286441 | FT-0643255 | Benzaldehyde, 2-methoxy-4-nitro- | DTXSID30374862 | 2-Methoxy-4-nitrobenzaldehyde | 2-Methoxy-4-nitro-benzaldehyde | AC-6641 | MFCD02683052 | 4-Nitro-2-methoxybenzal

Storage

Argon charged,Room temperature

Shipped In

Normal

사양

동의어

SB33045 | EN300-88319 | 2-Methoxy-4-nitrobenzaldehyde, 97% | SCHEMBL286441 | FT-0643255 | Benzaldehyde, 2-methoxy-4-nitro- | DTXSID30374862 | 2-Methoxy-4-nitrobenzaldehyde | 2-Methoxy-4-nitro-benzaldehyde | AC-6641 | MFCD02683052 | 4-Nitro-2-methoxybenzal

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488193145

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193145

정식 스마일

COC1=C(C=CC(=C1)[N+](=O)[O-])C=O

IUPAC Name

2-methoxy-4-nitrobenzaldehyde

InChIKey

LEBUUZXTHMCZQZ-UHFFFAOYSA-N

INCHI

1S/C8H7NO4/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-5H,1H3

이성체 SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C=O

WGK 독일

3

분자량

181.15

Reaxy-Rn

3271952

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3271952&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Nitrobenzaldehydes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Benzoyl derivatives Benzaldehydes Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Nitrobenzaldehyde - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Aldehyde - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the 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

• 감도: air sensitive
• 녹는점(°C): 120-124 °C
• 분자량: 181.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 181.038 Da
• Monoisotopic Mass: 181.038 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 201.000
• 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 136507-15-8, the molecular formula is C8H7NO4, and the molecular weight is 181.15 g/mol. InChIKey LEBUUZXTHMCZQZ-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.