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(6-Bromo-pyridin-2-yl)-acetonitrile is a chemical compound that features a pyridinyl group, a bromine atom, and an acetonitrile group. It is characterized as a bromide and nitrile, which are functional groups in organic chemistry. Bromides are known for their reactivity, while nitriles contain the cyano group (C≡N), which imparts specific chemical properties to the compound. (6-BROMO-PYRIDIN-2-YL)-ACETONITRILE is a six-membered heterocyclic aromatic compound with nitrogen as part of the heteroarene group. It is typically found in a clear to slightly-yellow liquid form and is commonly used in pharmaceuticals and synthetic procedures as an intermediate. Due to its distinctive properties, it is also widely used in chemical and biological research. The safety, reactivity, and handling of this chemical should be done as per standard chemical handling protocols.

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  • 112575-11-8 Structure
  • Basic information

    1. Product Name: (6-BROMO-PYRIDIN-2-YL)-ACETONITRILE
    2. Synonyms: (6-BROMO-PYRIDIN-2-YL)-ACETONITRILE;2-Bromo-6-(cyanomethyl)pyridine;2-(6-Bromo-2-pyridyl)acetonitrile;2-(6-Bromopyridin-2-yl)
    3. CAS NO:112575-11-8
    4. Molecular Formula: C7H5BrN2
    5. Molecular Weight: 197.032
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 112575-11-8.mol
  • Chemical Properties

    1. Melting Point: 43 °C(Solv: hexane (110-54-3))
    2. Boiling Point: 305.7 °C at 760 mmHg
    3. Flash Point: 138.7 °C
    4. Appearance: /
    5. Density: 1.575 g/cm3
    6. Vapor Pressure: 0.000807mmHg at 25°C
    7. Refractive Index: 1.578
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: -1.27±0.12(Predicted)
    11. CAS DataBase Reference: (6-BROMO-PYRIDIN-2-YL)-ACETONITRILE(CAS DataBase Reference)
    12. NIST Chemistry Reference: (6-BROMO-PYRIDIN-2-YL)-ACETONITRILE(112575-11-8)
    13. EPA Substance Registry System: (6-BROMO-PYRIDIN-2-YL)-ACETONITRILE(112575-11-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 112575-11-8(Hazardous Substances Data)

112575-11-8 Usage

Uses

Used in Pharmaceutical Industry:
(6-BROMO-PYRIDIN-2-YL)-ACETONITRILE is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its reactivity and functional groups make it a valuable building block in the development of new drugs.
Used in Chemical Research:
(6-BROMO-PYRIDIN-2-YL)-ACETONITRILE is used as a research compound in chemical studies. Its unique properties and reactivity allow researchers to explore its potential in various chemical reactions and processes.
Used in Biological Research:
(6-BROMO-PYRIDIN-2-YL)-ACETONITRILE is used as a research tool in biological studies. Its distinctive characteristics make it suitable for investigating its interactions with biological systems and potential applications in biochemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 112575-11-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,5,7 and 5 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 112575-11:
(8*1)+(7*1)+(6*2)+(5*5)+(4*7)+(3*5)+(2*1)+(1*1)=98
98 % 10 = 8
So 112575-11-8 is a valid CAS Registry Number.
InChI:InChI=1/C7H5BrN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2

112575-11-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(6-Bromopyridin-2-yl)acetonitrile

1.2 Other means of identification

Product number -
Other names 2-(6-bromopyridin-2-yl)acetonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:112575-11-8 SDS

112575-11-8Relevant articles and documents

Discovery and Optimization of 2 H-1λ2-Pyridin-2-one Inhibitors of Mutant Isocitrate Dehydrogenase 1 for the Treatment of Cancer

Rohde, Jason M.,Karavadhi, Surendra,Pragani, Rajan,Liu, Li,Fang, Yuhong,Zhang, Weihe,McIver, Andrew,Zheng, Hongchao,Liu, Qingyang,Davis, Mindy I.,Urban, Daniel J.,Lee, Tobie D.,Cheff, Dorian M.,Hollingshead, Melinda,Henderson, Mark J.,Martinez, Natalia J.,Brimacombe, Kyle R.,Yasgar, Adam,Zhao, Wei,Klumpp-Thomas, Carleen,Michael, Sam,Covey, Joseph,Moore, William J.,Stott, Gordon M.,Li, Zhuyin,Simeonov, Anton,Jadhav, Ajit,Frye, Stephen,Hall, Matthew D.,Shen, Min,Wang, Xiaodong,Patnaik, Samarjit,Boxer, Matthew B.

, p. 4913 - 4946 (2021/05/07)

Neomorphic mutations in isocitrate dehydrogenase 1 (IDH1) are oncogenic for a number of malignancies, primarily low-grade gliomas and acute myeloid leukemia. We report a medicinal chemistry campaign around a 7,7-dimethyl-7,8-dihydro-2H-1λ2-quinoline-2,5(6H)-dione screening hit against the R132H and R132C mutant forms of isocitrate dehydrogenase (IDH1). Systematic SAR efforts produced a series of potent pyrid-2-one mIDH1 inhibitors, including the atropisomer (+)-119 (NCATS-SM5637, NSC 791985). In an engineered mIDH1-U87-xenograft mouse model, after a single oral dose of 30 mg/kg, 16 h post dose, between 16 and 48 h, (+)-119 showed higher tumoral concentrations that corresponded to lower 2-HG concentrations, when compared with the approved drug AG-120 (ivosidenib).

HETEROCYCLIC COMPOUNDS AND USES THEREOF

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Paragraph 0157, (2020/10/21)

Heterocyclic compounds as Weel inhibitors are provided. The compounds may find use as therapeutic agents for the treatment of diseases and may find particular use in oncology.

MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER

-

Paragraph 0157, (2016/07/27)

Compounds of Formula I and Formula II and the pharmaceutically acceptable salts thereof are disclosed The variables A, B, Y, Z, X1, X2, R1-4 and R13-18 are disclosed herein. The compounds are useful for treating cancer disorders, especially those involving mutant IDH1 enzymes. Pharmaceutical compositions containing compounds of Formula I or Formula II and methods of treatment comprising administering compounds of Formula I and Formula II are also disclosed.

Facile synthesis of aryl-pyridyl, pyridazinyl, pyrazinyl, and triazinyl acetonitriles

Farahat,Boykin

, p. 585 - 589 (2013/06/27)

Dihalo pyridine, pyrazine, and pyridazine analogues were converted to the corresponding monohalo acetonitrile analogues through nucleophilic displacement of the halogen with the anion of tert-butyl cyanoacetate. The monohalo acetonitriles reacted under Su

INHIBITORS OF JANUS KINASES

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Page/Page column 49, (2010/04/03)

The instant invention provides for compounds that inhibit the four known mammalian JAK kinases (JAK1, JAK2, JAK3 and TYK2) and PDK1. The invention also provides for compositions comprising such inhibitory compounds and methods of inhibiting the activity of JAK1, JAK2, JAK3, TYK2 and PDK1 by administering the compound to a patient in need of treatment for myeloproliferative disorders or cancer.

BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS

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Page/Page column 87, (2008/06/13)

The invention relates to novel heterocycles of formula (I), processes for their preparation and their use for preparing medicaments for the treatment or prophylaxis of disorders, especially of hyperproliferative disorders.

PYRIDINYL ACETONITRILES

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Page/Page column 43-44, (2010/02/09)

The present invention is related to pyridinyl acetonitriles as well as to pharmaceutical formulations containing such pyridinyl acetonitriles. Said pyridinyl acetonitriles are modulators of the protein kinase signalling pathways, particularly the one involving Glycogen Kinase Synthase 3 or JNK. The present invention is furthermore related to methods of preparing pyridinyl acetonitriles. X is a substituted or unsubstituted pyridinyl. G is an unsubstituted or substituted pyrimidinyl or triazinyl.

Facile cyanomethylation of bromopyridines by nucleophilic substitution with lithioacetonitrile

Skerlj,Bogucki,Bridger

, p. 1488 - 1490 (2007/10/03)

Substituted bromopyridines undergo facile nucleophilic substitution with lithioacetonitrile under mild conditions to afford the corresponding cyanomethylated products.

Nitrile-Stabilized Carboanions. Nucleophilic Substitution Reactions on Bromopyridines

Newkome, George R.,Joo, Young J.,Evans, David W.,Pappalardo, Sebastiano,Fronczek, Frank R.

, p. 786 - 790 (2007/10/02)

A series of bis(2-heteroaryl)acetonitriles were synthesized, characterized, and transformed into the corresponding bis(2-heteroaryl)methanes, which can be readily oxidized with SeO2 in glacial acetic acid to the respective ketones.These disubstituted acetonitriles are ideal precursors to heterocalixarenes.The configuration in the solid state of meso-cyano compound 16 was ascertained by an X-ray crystal structure.

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