4-브로모-N,N-디에틸아닐린 - ≥97% , CAS No.2052-06-4

CAS: 2052-06-4 Cat. No.: B151823 분자식: C₁₀H₁₄BrN 분자량: 228.13 Beilstein Registry Number: 12(4)1500 EC 번호: 218-140-8

GRADE & PURITY ≥97%

Synonyms

(4-bromo-phenyl)diethylamine | (4-Bromo-phenyl)-diethyl-amine | (4-bromophenyl)-diethyl-amine | 4-Bromo-N,N-diethylaniline, 97% | Benzenamine, 4-bromo-N,N-diethyl- | NSC8071 | NSC-8071 | SY007850 | SCHEMBL381900 | 4-bromo-n,n-diethylbenzenamine | Aniline,

Storage

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

Specifications

동의어

(4-bromo-phenyl)diethylamine | (4-Bromo-phenyl)-diethyl-amine | (4-bromophenyl)-diethyl-amine | 4-Bromo-N,N-diethylaniline, 97% | Benzenamine, 4-bromo-N,N-diethyl- | NSC8071 | NSC-8071 | SY007850 | SCHEMBL381900 | 4-bromo-n,n-diethylbenzenamine | Aniline,

사양 및 순도

≥97%

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥97%

이름과 식별자

• Pubchem Sid: 488182232
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182232
• 정식 스마일: CCN(CC)C1=CC=C(C=C1)Br
• IUPAC Name: 4-bromo-N,N-diethylaniline
• InChIKey: NGYMZFJVHHKJQR-UHFFFAOYSA-N
• INCHI: 1S/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
• 이성체 SMILES: CCN(CC)C1=CC=C(C=C1)Br
• 분자량: 228.13
• Beilstein: 12(4)1500
• Reaxy-Rn: 2803424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803424&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Bromobenzenes Aryl bromides Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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.
• 감도: air sensitive ；light sensitive；heat sensitive
• 끓는점(°C): 215°C(lit.)
• 녹는점(°C): 32-33 °C
• 분자량: 228.130 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 227.031 Da
• Monoisotopic Mass: 227.031 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 115.000
• 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 2052-06-4, the molecular formula is C10H14BrN, and the molecular weight is 228.13 g/mol. InChIKey NGYMZFJVHHKJQR-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.