Diquat Dibromide monohydrate - analytical standard , CAS No.6385-62-2

CAS: 6385-62-2 Cat. No.: D101258 분자식: C₁₂H₁₂Br₂N₂· H₂O 분자량: 362.06 Beilstein Registry Number: 3769318 EC 번호: 626-433-0

GRADE & PURITY Analytical standard

Synonyms

DTXCID5011248 | Q27282442 | Diquat dibromide monohydrate, PESTANAL(R), analytical standard | BDBM50153015 | Diquat (dibromide hydrate) | NCGC00255043-01 | UNII-KU81Z1B8QW | DTXSID7031248 | starbld0009567 | 3H-[1]Benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyra

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Diquat dibromide hydrate is a diazine-like herbicide including two nitrogen atoms.

Specifications

동의어

DTXCID5011248 | Q27282442 | Diquat dibromide monohydrate, PESTANAL(R), analytical standard | BDBM50153015 | Diquat (dibromide hydrate) | NCGC00255043-01 | UNII-KU81Z1B8QW | DTXSID7031248 | starbld0009567 | 3H-[1]Benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyra

사양 및 순도

analytical standard

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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등급

분석 표준물질

이름과 식별자

Pubchem Sid

508813572

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813572

정식 스마일

C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]

IUPAC Name

7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate

InChIKey

KLJOSQAQZMLLMB-UHFFFAOYSA-L

INCHI

1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2

이성체 SMILES

C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]

WGK 독일

3

RTECS

JM5720000

분자량

362.06

Beilstein

3769318

Reaxy-Rn

17835626

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17835626&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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

• 감도: Air sensitive；Moisture sensitive
• 녹는점(°C): 320°C
• 분자량: 362.060 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 361.945 Da
• Monoisotopic Mass: 359.947 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 182.000
• 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: 4

XLogP3

자주 묻는 질문

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

The CAS Number is 6385-62-2, the molecular formula is C12H12Br2N2· H2O, and the molecular weight is 362.06 g/mol. InChIKey KLJOSQAQZMLLMB-UHFFFAOYSA-L.

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.