Bromoacetonitrile - ≥97% , CAS No.590-17-0

CAS: 590-17-0 Cat. No.: B104455 분자식: C₂H₂NBr 분자량: 119.95 Beilstein Registry Number: 956569 EC 번호: 209-672-1

등급 & 순도 ≥97%

Synonyms

J-519939 | Cyanomethyl bromide | InChI=1/C2H2BrN/c3-1-2-4/h1H | 07K08J16VK | 2-Bromoacetonitrile; Bromoacetonitrile; Bromomethyl cyanide | BROMOACETONITRILE | bromo-acetonitrile | AS-12053 | AMY21970 | B1058 | Bromoacetonitrile, 97% | 4-02-00-00531 (Beils

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

개요

Bromoacetonitrile was used in the synthesis of 1-cyanomethyl-1,1-dimethylhydrazinium bromide.

사양

동의어

J-519939 | Cyanomethyl bromide | InChI=1/C2H2BrN/c3-1-2-4/h1H | 07K08J16VK | 2-Bromoacetonitrile; Bromoacetonitrile; Bromomethyl cyanide | BROMOACETONITRILE | bromo-acetonitrile | AS-12053 | AMY21970 | B1058 | Bromoacetonitrile, 97% | 4-02-00-00531 (Beils

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%

이름과 식별자

Pubchem Sid

508814521

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814521

정식 스마일

C(C#N)Br

IUPAC Name

2-bromoacetonitrile

InChIKey

REXUYBKPWIPONM-UHFFFAOYSA-N

INCHI

1S/C2H2BrN/c3-1-2-4/h1H2

이성체 SMILES

C(C#N)Br

WGK 독일

3

RTECS

AL7970000

UN 번호

3276

포장 그룹

I

분자량

119.95

Beilstein

956569

Reaxy-Rn

956569

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956569&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

관련 대상(인간)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 감도: Light sensitive.;Moisture sensitive
• 굴절률: 1.4786-1.4806
• 발화점(°F): 230 °F
• 발화점(°C): >110°C
• 끓는점(°C): 150 °C
• 분자량: 119.950 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 118.937 Da
• Monoisotopic Mass: 118.937 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 41.200
• 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