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METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE is a synthetic chemical compound that combines elements of bromine, chlorine, methyl, and benzoate. It is an organic compound primarily used in scientific and industrial applications. Due to its halogenated nature, it is potentially reactive, and caution is required when handling it. However, detailed hazard identification and toxicological data on this specific compound are not widely available.

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  • 668262-52-0 Structure
  • Basic information

    1. Product Name: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE
    2. Synonyms: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE;2-BROMOMETHYL-5-CHLORO-BENZOIC ACID METHYL ESTER;Benzoic acid, 2-(bromomethyl)-5-chloro-, methyl ester;2-carboxy-4-chloro-broMoMethylbenzene Methyl ester;-5-chlorobenzoate
    3. CAS NO:668262-52-0
    4. Molecular Formula: C9H8BrClO2
    5. Molecular Weight: 263.52
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 668262-52-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 331 °C at 760 mmHg
    3. Flash Point: 154 °C
    4. Appearance: /
    5. Density: 1.561 g/cm3
    6. Vapor Pressure: 0.00016mmHg at 25°C
    7. Refractive Index: 1.572
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE(668262-52-0)
    12. EPA Substance Registry System: METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE(668262-52-0)
  • 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: 668262-52-0(Hazardous Substances Data)

668262-52-0 Usage

Uses

Used in Pharmaceutical Industry:
METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs and medications.
Used in Plastics Industry:
In the plastics industry, METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE is used as a building block for the production of certain types of plastics. Its properties contribute to the development of plastics with specific characteristics, such as increased stability or resistance to certain conditions.
Used in Organic Compounds Production:
METHYL 2-BROMOMETHYL-5-CHLORO-BENZOATE is used as a precursor in the synthesis of other organic compounds. Its versatility in chemical reactions makes it a valuable component in the creation of a wide range of organic substances for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 668262-52-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,6,8,2,6 and 2 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 668262-52:
(8*6)+(7*6)+(6*8)+(5*2)+(4*6)+(3*2)+(2*5)+(1*2)=190
190 % 10 = 0
So 668262-52-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H8BrClO2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3

668262-52-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 2-(bromomethyl)-5-chlorobenzoate

1.2 Other means of identification

Product number -
Other names methyl 2-(bromomethyl)-5-chlorobenzoate

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:668262-52-0 SDS

668262-52-0Relevant articles and documents

INHIBITORS OF INFLUENZA VIRUS REPLICATION

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, (2020/06/19)

Methods of inhibiting the replication of influenza viruses in a biological sample or patient, of reducing the amount of influenza viruses in a biological sample or patient, and of treating influenza in a patient, comprises administering to said biological

C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME

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Page/Page column 112, (2019/10/01)

Disclosed herein are embodiments of a compound that inhibits c-Abl tyrosine kinase (also referred to herein as "c-Abl"). The compound embodiments described herein are novel c-Abl inhibitors that can bind to c-Abl at an allosteric site and inhibit its activity in various pathways. The compound embodiments also are capable of crossing the blood brain barrier and therefore are useful in inhibiting c-Abl activity as it affects pathways and/or proteins in the brain. The compound embodiments described herein are effective therapeutic agents for treating diseases involving c-Abl, such as cancers, motor neuron diseases, and neurodegenerative diseases. Also disclosed herein are embodiments of methods for making and using the c- Abl inhibitory compound embodiments.

Identification of novel uracil derivatives incorporating benzoic acid moieties as highly potent Dipeptidyl Peptidase-IV inhibitors

Huang, Junli,Deng, Xiaoyan,Zhou, Siru,Wang, Na,Qin, Yujun,Meng, Liuwei,Li, Guobao,Xiong, Yuhua,Fan, Yating,Guo, Ling,Lan, Danni,Xing, Junhao,Jiang, Weizhe,Li, Qing

, p. 644 - 654 (2019/01/14)

Dipeptidyl Peptidase-IV (DPP-4) is a validated therapeutic target for type 2 diabetes. Aiming to interact with both residues Try629 and Lys554 in S2′ site, a series of novel uracil derivatives 1a–l and 2a–i incorporating benzoic acid moieties at the N3 position were designed and evaluated for their DPP-4 inhibitory activity. Structure-activity relationships (SAR) study led to the identification of the optimal compound 2b as a potent and selective DPP-4 inhibitor (IC50 = 1.7 nM). Docking study revealed the additional salt bridge formed between the carboxylic acid and primary amine of Lys554 has a key role in the enhancement of the activity. Furthermore, compound 2b exhibited no cytotoxicity in human hepatocyte LO2 cells up to 50 μM. Subsequent in vivo evaluations revealed that the ester of 2b robustly improves the glucose tolerance in normal mice. The overall results have shown that compound 2b has the potential to a safe and efficacious treatment for T2DM.

Rapid generation of novel benzoic acid–based xanthine derivatives as highly potent, selective and long acting DPP-4 inhibitors: Scaffold-hopping and prodrug study

Li, Qing,Meng, Liuwei,Zhou, Siru,Deng, Xiaoyan,Wang, Na,Ji, Yi,Peng, Yichun,Xing, Junhao,Yao, Gongmei

, p. 509 - 523 (2019/07/25)

A series of novel xanthine derivatives 2a-l incorporating benzoic acid moieties were rapidly generated by using strategy of scaffold-hopping from our previously reported scaffold uracil to xanthine, a scaffold of approved drug linagliptin. After systematic structure-activity relationship (SAR) study around benzoic acid moieties, 5 novel DPP-4 inhibitors with low picomolar potency range (IC50 50 value of 0.1 nM for DPP-4, showed 22-fold improvement in inhibitory activity compared to lead compound uracil 1, its activity was 45-fold more potent than alogliptin. 2e, 2f, 2i and 2k were selected for pharmacokinetic evaluation, and 2f and 2i showed the better pharmacokinetic profiles after iv administration, but poor oral bioavailability. To improve the oral pharmacokinetic profile, prodrug design approach was performed around 2f and 2i. Esters of 2f and 2i were synthesized and evaluated for stability, toxicity and pharmacokinetics. Compound 3e, the methyl ester of compound 2f, was identified to demonstrate good stability, low toxicity and improved oral bioavailability, with 3-fold higher blood concentration compared to 2f in rats. The following in vivo evaluations revealed 3e provided a sustained pharmacodynamics effect for 48h, and robustly improved glucose tolerance in normal ICR and db/db mice in dose-dependent manner. Chronic treatments investigations demonstrated that 3e achieved more beneficial effects on fasting blood glucose levels and glucose tolerance than alogliptin in type 2 diabetic db/db mice. The overall results have shown that compound 3e has the potential to efficacious, safety and long-acting treatment for T2DM.

HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS

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Page/Page column 114; 115, (2017/09/05)

The present application relates to certain halo-substituted piperidine compounds, pharmaceutical compositions containing them, and methods of using them, including methods for treating substance addiction, panic disorder, anxiety, post-traumatic stress disorder, pain, depression, seasonal affective disorder, an eating disorder, or hypertension.

Isosteric analogs of lenalidomide and pomalidomide: Synthesis and biological activity

Ruchelman, Alexander L.,Man, Hon-Wah,Zhang, Weihong,Chen, Roger,Capone, Lori,Kang, Jian,Parton, Anastasia,Corral, Laura,Schafer, Peter H.,Babusis, Darius,Moghaddam, Mehran F.,Tang, Yang,Shirley, Michael A.,Muller, George W.

, p. 360 - 365 (2013/02/23)

A series of analogs of the immunomodulary drugs lenalidomide (1) and pomalidomide (2), in which the amino group is replaced with various isosteres, was prepared and assayed for immunomodulatory activity and activity against cancer cell lines. The 4-methyl and 4-chloro analogs 4 and 15, respectively, displayed potent inhibition of tumor necrosis factor-α (TNF-α) in LPS-stimulated hPBMC, potent stimulation of IL-2 in a human T cell co-stimulation assay, and anti-proliferative activity against the Namalwa lymphoma cell line. Both of these analogs displayed oral bioavailability in rat.

SYNTHESIS AND USE OF HETEROCYCLIC ANTIBACTERIAL AGENTS

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Page/Page column 39, (2010/01/30)

This invention relates to compounds of the following Formula (I); or a pharmaceutically acceptable salt, solvate, ester or isomer thereof, which is useful for the treatment of diseases or conditions mediated by LpxC.

Isoindol-1,3-dione and isoindol-1-one derivatives with high binding affinity to β-amyloid fibrils

Lee, Hyu Ji,Lim, Soo Jeong,Oh, Seung Jun,Moon, Dae Hyuk,Kim, Dong Jin,Tae, Jinsung,Yoo, Kyung Ho

, p. 1628 - 1631 (2008/09/19)

Based on the structural features of Indoprofen and PIB, a series of isoindol-1,3-diones 1a-k and isoindol-1-ones 2a-l were designed and synthesized. These 23 compounds were evaluated by competitive binding assay against aggregated Aβ42 fibrils using [125I]TZDM. All the isoindolone derivatives showed very good binding affinities with Ki values in the subnanomolar range (0.42-0.94 nM). Among them, isoindol-1,3-diones 1i and 1k and isoindol-1-ones 2c and 2i exhibited excellent binding affinities (Ki = 0.42-0.44 and 0.46-0.49 nM) than those of Indoprofen (Ki = 0.52 nM) and PIB (Ki = 0.70 nM). These results suggest that isoindolones could be served as a scaffold for potential AD diagnostic probes to monitor Aβ fibrils.

PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS

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Page/Page column 148, (2015/03/06)

This invention provides a compound of the formula (I): wherein A represents a phenyl group or the like: B represents an aryl or the like: E represents a 1,4-phenylene group; R1 and R2 independently represent a hydrogen atom or the li

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