Bromoxynil methyl ether - ≥97% , CAS No.3336-39-8

CAS: 3336-39-8 Cat. No.: B355771 분자식: C₈H₅Br₂NO 분자량: 290.94

GRADE & PURITY ≥97%

Synonyms

Bromoxynil-methyl ether | FT-0614500 | BUGMOVRSBPGSOS-UHFFFAOYSA-N | HMS565O20 | J-019160 | Bromoxynil methyl ether | MFCD00017333 | SR-01000640124-1 | BROMOXYNIL-METHYLETHER | SCHEMBL7627302 | AKOS002391621 | 3,5-dibromo-4-methoxybenzonitrile | 3,5-Dibro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

Bromoxynil-methyl ether | FT-0614500 | BUGMOVRSBPGSOS-UHFFFAOYSA-N | HMS565O20 | J-019160 | Bromoxynil methyl ether | MFCD00017333 | SR-01000640124-1 | BROMOXYNIL-METHYLETHER | SCHEMBL7627302 | AKOS002391621 | 3,5-dibromo-4-methoxybenzonitrile | 3,5-Dibro

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%

이름과 식별자

• Pubchem Sid: 504761403
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761403
• 정식 스마일: COC1=C(C=C(C=C1Br)C#N)Br
• IUPAC Name: 3,5-dibromo-4-methoxybenzonitrile
• InChIKey: BUGMOVRSBPGSOS-UHFFFAOYSA-N
• INCHI: 1S/C8H5Br2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,1H3
• 이성체 SMILES: COC1=C(C=C(C=C1Br)C#N)Br
• 분자량: 290.94
• Reaxy-Rn: 2578051
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2578051&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organobromide - 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 benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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): 189 - 191 °C
• 분자량: 290.940 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 290.872 Da
• Monoisotopic Mass: 288.874 Da
• Topological Polar Surface Area: 33.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 3336-39-8, the molecular formula is C8H5Br2NO, and the molecular weight is 290.94 g/mol. InChIKey BUGMOVRSBPGSOS-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.