2-Bromo-N-methylaniline - ≥96% , CAS No.6832-87-7

CAS: 6832-87-7 Cat. No.: B186004 분자식: C₇H₈BrN 분자량: 186186.05 EC 번호: 626-537-6

등급 & 순도 ≥96%

Synonyms

A867065 | SY246165 | DS-17555 | 2-Bromo-N-methylaniline | 2-Bromo-N-methylaniline, 95% | AKOS000253684 | DTXSID80318993 | V10176 | 2-bromo-N-methylbenzenamine | SCHEMBL989524 | MFCD06798064 | NSC338420 | NSC-338420 | FT-0696143 | SMVIAQFTVWDWDS-UHFFFAOYSA

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Product Introduction

2-Bromo-N-methylaniline can be synthesized via the reduction of 2-bromoformylanilide.

Application

2-Bromo-N-methylaniline can be used to synthesize benzimidazole derivatives, via one pot N-arylation of amides/cyclic amides in the presence of copper iodide nanoparticles. It can also be used in the synthesis of alkyltelluro-substituted aromatic amines, which can show radical trapping ability.

사양

동의어

A867065 | SY246165 | DS-17555 | 2-Bromo-N-methylaniline | 2-Bromo-N-methylaniline, 95% | AKOS000253684 | DTXSID80318993 | V10176 | 2-bromo-N-methylbenzenamine | SCHEMBL989524 | MFCD06798064 | NSC338420 | NSC-338420 | FT-0696143 | SMVIAQFTVWDWDS-UHFFFAOYSA

사양 및 순도

≥96%

보관 조건

Store at 2-8°C

배송

Wet ice

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

순수함

≥96%

이름과 식별자

Pubchem Sid

504758502

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758502

정식 스마일

CNC1=CC=CC=C1Br

IUPAC Name

2-bromo-N-methylaniline

InChIKey

SMVIAQFTVWDWDS-UHFFFAOYSA-N

INCHI

1S/C7H8BrN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3

이성체 SMILES

CNC1=CC=CC=C1Br

WGK 독일

2

분자량

186186.05

Reaxy-Rn

2716106

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716106&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: 2-bromoanilines Secondary alkylarylamines Bromobenzenes Aryl bromides Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-bromoaniline - Aniline or substituted anilines - Phenylalkylamine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Secondary amine - Organobromide - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.
• 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

• 굴절률: 1.6070
• 발화점(°F): 217 °F
• 발화점(°C): 103 °C
• 끓는점(°C): 107-109 °C/12 mmHg
• 분자량: 186.050 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.984 Da
• Monoisotopic Mass: 184.984 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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 ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 6832-87-7, the molecular formula is C7H8BrN, and the molecular weight is 186186.05 g/mol. InChIKey SMVIAQFTVWDWDS-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.