2,5-Dimethylbromobenzene - ≥98% , CAS No.553-94-6

CAS: 553-94-6 Cat. No.: D107975 분자식: C₈H₉Br 분자량: 185.06 Beilstein Registry Number: 5385 EC 번호: 209-055-7

GRADE & PURITY ≥98%

Synonyms

AKOS000202444 | A8021 | 1,4-Dimethyl-2-bromobenzene | 2,5-Dimethylbromobenzene | EINECS 209-055-7 | NSC8051 | NSC-8051 | J-802069 | Bromo-p-xylene | Monobromo-p-Xylene | 2,5-Xylyl bromide | NSC 8051 | 2,5-Dimethylphenyl bromide | FT-0611610 | Q-101902 | 2

Storage

Protected from light,Room temperature

Shipped In

Normal

개요

2-Bromo-1,4-dimethylbenzene was used in the synthesis of 2,5,2′,5′-tetrakismethylbiphenyl via Yamamoto coupling reaction. It was also used in the synthesis of cis-3,4-diphenyl-5,8-dimethylisocoumarins.

Specifications

동의어

AKOS000202444 | A8021 | 1,4-Dimethyl-2-bromobenzene | 2,5-Dimethylbromobenzene | EINECS 209-055-7 | NSC8051 | NSC-8051 | J-802069 | Bromo-p-xylene | Monobromo-p-Xylene | 2,5-Xylyl bromide | NSC 8051 | 2,5-Dimethylphenyl bromide | FT-0611610 | Q-101902 | 2

사양 및 순도

≥98%

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488181263

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181263

정식 스마일

CC1=CC(=C(C=C1)C)Br

IUPAC Name

2-bromo-1,4-dimethylbenzene

InChIKey

QXISTPDUYKNPLU-UHFFFAOYSA-N

INCHI

1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3

이성체 SMILES

CC1=CC(=C(C=C1)C)Br

WGK 독일

3

분자량

185.06

Beilstein

5385

Reaxy-Rn

2040350

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040350&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
• 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: Light sensitive.
• 동결점(°C): 7 °C
• 굴절률: 1.55
• 발화점(°F): 174.2 °F
• 발화점(°C): 79 °C
• 끓는점(°C): 199-201°C
• 녹는점(°C): 9-10°C
• 분자량: 185.060 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 183.989 Da
• Monoisotopic Mass: 183.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.600
• 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, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 553-94-6, the molecular formula is C8H9Br, and the molecular weight is 185.06 g/mol. InChIKey QXISTPDUYKNPLU-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.