α-Bromo-m-xylene - ≥95% , CAS No.620-13-3

CAS: 620-13-3 Cat. No.: B405679 분자식: C₈H₉Br 분자량: 185.06 EC 번호: 210-625-2

GRADE & PURITY ≥95%

Synonyms

m-(Bromomethyl)toluene | SCHEMBL177507 | M-XYLYL BROMIDE [MI] | AKOS000446926 | B3585 | NSC 60146 | 1-(Bromomethyl)-3-methylbenzene | 1-(Bromomethyl)-3-Methyl-Benzene | 3-Methylbenzyl bromide | 3-methyl-benzyl bromide | m-methylbenzylbromide | M-XYLYL BRO

Storage

Room temperature

Specifications

동의어

m-(Bromomethyl)toluene | SCHEMBL177507 | M-XYLYL BROMIDE [MI] | AKOS000446926 | B3585 | NSC 60146 | 1-(Bromomethyl)-3-methylbenzene | 1-(Bromomethyl)-3-Methyl-Benzene | 3-Methylbenzyl bromide | 3-methyl-benzyl bromide | m-methylbenzylbromide | M-XYLYL BRO

사양 및 순도

≥95%

보관 조건

Room temperature

순수함

≥95%

이름과 식별자

Pubchem Sid

504752260

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752260

정식 스마일

CC1=CC(=CC=C1)CBr

IUPAC Name

1-(bromomethyl)-3-methylbenzene

InChIKey

FWLWTILKTABGKQ-UHFFFAOYSA-N

INCHI

1S/C8H9Br/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3

이성체 SMILES

CC1=CC(=CC=C1)CBr

RTECS

CY9039200

UN 번호

1701

포장 그룹

II

분자량

185.06

Reaxy-Rn

2076425

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2076425&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Toluenes Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Toluene - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl 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

• 용해성: Insoluble in water; Soluble in Ether,Alcohol
• 감도: Light Sensitive
• 굴절률: 1.57
• 발화점(°C): 82 °C
• 끓는점(°C): 98 °C/11 mmHg
• 분자량: 185.060 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• 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: 80.600
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 620-13-3, the molecular formula is C8H9Br, and the molecular weight is 185.06 g/mol. InChIKey FWLWTILKTABGKQ-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.