1,2-Dibromonaphthalene - ≥98% , CAS No.5438-13-1

CAS: 5438-13-1 Cat. No.: D696490 분자식: C₁₀H₆Br₂ 분자량: 285.96

GRADE & PURITY ≥98%

Synonyms

Benzene,1,2-bis(bromomethyl)-4-nitro

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Benzene,1,2-bis(bromomethyl)-4-nitro

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

정식 스마일

C1=CC=C2C(=C1)C=CC(=C2Br)Br

IUPAC Name

1,2-dibromonaphthalene

InChIKey

QGZAUMUFTXCDBD-UHFFFAOYSA-N

INCHI

1S/C10H6Br2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H

이성체 SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)Br

대체 CAS

5438-13-1,31153-27-2

NSC 번호

16623

분자량

285.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• 녹는점(°C): 68℃
• 분자량: 285.960 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 285.882 Da
• Monoisotopic Mass: 283.884 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 158.000
• 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