2-bromoindane - ≥97% , CAS No.17623-96-0

CAS: 17623-96-0 Cat. No.: B635697 분자식: C₉H₉Br 분자량: 197.07 EC 번호: 835-907-8

등급 & 순도 ≥97%

Synonyms

1H-INDENE, 2-BROMO-2,3-DIHYDRO- | AM807380 | MB05045 | AKOS009995822 | SY185759 | EN300-72436 | 2-Bromoindane, AldrichCPR | BS-13285 | SCHEMBL1923692 | 2-BROMOINDAN | 2-Bromo-indan | FT-0663758 | APYDCTAPNKFTRB-UHFFFAOYSA-N | 2-BROMOINDANE | MFCD07784485

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

1H-INDENE, 2-BROMO-2,3-DIHYDRO- | AM807380 | MB05045 | AKOS009995822 | SY185759 | EN300-72436 | 2-Bromoindane, AldrichCPR | BS-13285 | SCHEMBL1923692 | 2-BROMOINDAN | 2-Bromo-indan | FT-0663758 | APYDCTAPNKFTRB-UHFFFAOYSA-N | 2-BROMOINDANE | MFCD07784485

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

528757249

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757249

정식 스마일

C1C(CC2=CC=CC=C21)Br

IUPAC Name

2-bromo-2,3-dihydro-1H-indene

InChIKey

APYDCTAPNKFTRB-UHFFFAOYSA-N

INCHI

1S/C9H9Br/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2

이성체 SMILES

C1C(CC2=CC=CC=C21)Br

대체 CAS

17623-96-0

분자량

197.07

Reaxy-Rn

3117811

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3117811&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• 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: 197.070 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 195.989 Da
• Monoisotopic Mass: 195.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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