4-Bromo-2,3-dimethylaniline - ≥97% , CAS No.22364-25-6

CAS: 22364-25-6 Cat. No.: B345050 분자식: C₈H₁₀BrN 분자량: 200.08 EC 번호: 676-304-8

등급 & 순도 ≥97%

Synonyms

EN300-86157 | (4-Bromo-2,3-dimethylphenyl)amine | p-bromdimethylanilin | AMY5054 | SB35571 | s10417 | SCHEMBL580651 | Benzenamine,4-bromo-2,3-dimethyl- | AKOS005172632 | FS-4330 | FT-0683269 | 4-Bromo-2,3-dimethyl-phenylamine | SY270583 | MFCD08689504 | 4

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

EN300-86157 | (4-Bromo-2,3-dimethylphenyl)amine | p-bromdimethylanilin | AMY5054 | SB35571 | s10417 | SCHEMBL580651 | Benzenamine,4-bromo-2,3-dimethyl- | AKOS005172632 | FS-4330 | FT-0683269 | 4-Bromo-2,3-dimethyl-phenylamine | SY270583 | MFCD08689504 | 4

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

504769409

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769409

정식 스마일

CC1=C(C=CC(=C1C)Br)N

IUPAC Name

4-bromo-2,3-dimethylaniline

InChIKey

YOBPAGXZBSWOHP-UHFFFAOYSA-N

INCHI

1S/C8H10BrN/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,10H2,1-2H3

이성체 SMILES

CC1=C(C=CC(=C1C)Br)N

분자량

200.08

Reaxy-Rn

2690189

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690189&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: o-Xylenes
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-xylene - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-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

• 분자량: 200.080 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 199 Da
• Monoisotopic Mass: 199 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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. 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 22364-25-6, the molecular formula is C8H10BrN, and the molecular weight is 200.08 g/mol. InChIKey YOBPAGXZBSWOHP-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.