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METHYL 2-CHLORO-3-NITROBENZOATE, with the molecular formula C8H6ClNO4, is a yellow crystalline chemical compound that serves as an intermediate in the synthesis of various organic chemicals, including pharmaceuticals and agrochemicals. It is primarily used in the production of other chemicals and does not have many direct applications of its own. Due to its hazardous properties, proper safety measures should be taken when handling it.

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  • 53553-14-3 Structure
  • Basic information

    1. Product Name: METHYL 2-CHLORO-3-NITROBENZOATE
    2. Synonyms: METHYL 2-CHLORO-3-NITROBENZOATE;Benzoic acid, 2-chloro-3-nitro-, methyl ester
    3. CAS NO:53553-14-3
    4. Molecular Formula: C8H6ClNO4
    5. Molecular Weight: 215.59
    6. EINECS: N/A
    7. Product Categories: Aromatic Esters
    8. Mol File: 53553-14-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 319.531 °C at 760 mmHg
    3. Flash Point: 147.047 °C
    4. Appearance: /
    5. Density: 1.427 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.568
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL 2-CHLORO-3-NITROBENZOATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL 2-CHLORO-3-NITROBENZOATE(53553-14-3)
    12. EPA Substance Registry System: METHYL 2-CHLORO-3-NITROBENZOATE(53553-14-3)
  • 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: 53553-14-3(Hazardous Substances Data)

53553-14-3 Usage

Uses

Used in Pharmaceutical Industry:
METHYL 2-CHLORO-3-NITROBENZOATE is used as a chemical intermediate for the synthesis of various pharmaceuticals. It plays a crucial role in the production of active pharmaceutical ingredients, contributing to the development of new drugs and therapies.
Used in Agrochemical Industry:
METHYL 2-CHLORO-3-NITROBENZOATE is used as a chemical intermediate in the synthesis of agrochemicals. It helps in the production of various agrochemicals, such as pesticides and herbicides, which are essential for crop protection and ensuring food security.
Used in Organic Chemical Synthesis:
METHYL 2-CHLORO-3-NITROBENZOATE is used as a key intermediate in the synthesis of other organic chemicals. Its unique chemical structure allows it to be a versatile building block for the creation of various organic compounds, expanding the scope of chemical research and development.

Check Digit Verification of cas no

The CAS Registry Mumber 53553-14-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,5,5 and 3 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 53553-14:
(7*5)+(6*3)+(5*5)+(4*5)+(3*3)+(2*1)+(1*4)=113
113 % 10 = 3
So 53553-14-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H6ClNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3

53553-14-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name METHYL 2-CHLORO-3-NITROBENZOATE

1.2 Other means of identification

Product number -
Other names 2-Chlor-3-nitro-benzoesaeure-methylester

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:53553-14-3 SDS

53553-14-3Relevant articles and documents

From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)

Kl?vekorn, Philip,Pfaffenrot, Bent,Juchum, Michael,Selig, Roland,Albrecht, Wolfgang,Zender, Lars,Laufer, Stefan A.

supporting information, (2020/11/20)

The mitogen-activated protein kinase (MAP) kinase 4 (MKK4) was found to be a major regulator of liver regeneration and could be a valuable drug target addressing liver related diseases by restoring its intrinsic regenerative capacity. We report on the synthesis and optimization of novel MKK4 inhibitors following a target-hopping strategy from the FDA-approved BRAFV600E inhibitor PLX4032 (8). Applying an iterative multi-parameter optimization process we carved out essential structural features yielding in compounds with a low nanomolar affinity for MKK4 and excellent selectivity profiles against the main off-targets MKK7 and JNK1, which, upon relevant inhibition, would totally abrogate the pro-regenerative effect of MKK4 inhibition, as well as against the off-targets MAP4K5, ZAK and BRAF with selectivity factors ranging from 40 to 430 for our best-balanced compounds 70 and 73.

TRANSGLUTAMINASE 2 (TG2) INHIBITORS

-

Paragraph 00764, (2020/03/02)

Described herein are compounds and pharmaceutical compositions containing such compounds which inhibit transglutaminase 2 (TG2). Also described herein are methods for using such TG2 inhibitors, alone or in combination with other compounds, for treating diseases or conditions that would benefit from TG2 inhibition.

COMPOUNDS, COMPOSITIONS AND METHODS OF USE

-

Page/Page column 88-89, (2020/07/06)

Herein, compounds, compositions and methods for modulating inclusion formation and stress granules in cells related to the onset of neurodegenerative diseases, musculoskeletal diseases, cancer, ophthalmological diseases, and viral infections are described.

Discovery of 1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazoles as novel class of corticotropin releasing factor 1 receptor antagonists

Kojima, Takuto,Mochizuki, Michiyo,Takai, Takafumi,Hoashi, Yasutaka,Morimoto, Sachie,Seto, Masaki,Nakamura, Minoru,Kobayashi, Katsumi,Sako, Yuu,Tanaka, Maiko,Kanzaki, Naoyuki,Kosugi, Yohei,Yano, Takahiko,Aso, Kazuyoshi

, p. 2229 - 2250 (2018/02/21)

A new class of corticotropin releasing factor 1 (CRF1) receptor antagonists characterized by a tricyclic core ring was designed and synthesized. Novel tricyclic derivatives 2a–e were designed as CRF1 receptor antagonists based on con

PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH

-

Page/Page column 32; 64; 65, (2018/08/12)

The invention relates to MKK4 (mitogen-activated protein kinase 4) and their use in promoting liver regeneration or reducing or preventing hepatocyte death. The MKK4 inhibitors selectively inhibit protein kinase MKK4 over protein kinases JNK and MKK7.

Discovery of 4-chloro-2-(2,4-dichloro-6-methylphenoxy)-1-methyl-7-(pentan-3-yl)-1H-benzimidazole, a novel CRF1receptor antagonist

Mochizuki, Michiyo,Kojima, Takuto,Kobayashi, Katsumi,Kotani, Etsuo,Ishichi, Yuji,Kanzaki, Naoyuki,Nakagawa, Hideyuki,Okuda, Teruaki,Kosugi, Yohei,Yano, Takahiko,Sako, Yuu,Tanaka, Maiko,Aso, Kazuyoshi

, p. 1556 - 1570 (2017/02/26)

Compound 1 exhibits potent binding inhibition activity against a corticotropin-releasing factor 1 (CRF1) receptor (IC50= 9.5 nM) and in vitro antagonistic activity (IC50= 88 nM) but is rapidly metabolized by human hepatic microsomes (182 μL/min/mg). Here we identified metabolically stable compounds with potent CRF binding inhibitory activity. Structure–activity relationship (SAR) studies considering in vitro metabolic stability revealed that 4-chloro-2-(2,4-dichloro-6-methylphenoxy)-1-methyl-7-(pentan-3-yl)-1H-benzimidazole 24d was more stable in human microsomes (87 μL/min/mg) than compound 1. Compound 24d demonstrated potent CRF binding inhibitory activity (IC50= 4.1 nM), in vitro antagonistic activity (IC50= 44 nM), and slow dissociation from the CRF1receptor. Orally administered compound 24d (6–24 μmol/kg) showed ex vivo CRF1receptor binding in the rat pituitary, olfactory bulb, and frontal cortex and suppressed stress-induced adrenocorticotropic hormone (ACTH) secretion. In this report, we discuss SAR studies on the metabolic stability as well as CRF binding inhibitory activity of the benzimidazole series as CRF1receptor antagonists and the pharmacological profiles of compound 24d.

p27 PROTEIN INDUCER

-

Paragraph 2881-2885, (2016/10/08)

The present invention provides a p27 protein inducing agent comprising a compound represented by general formula (11) below or pharmaceutically acceptable salt thereof as an active ingredient: wherein G 1 , G 2 , G 3 and G 8 are each independently selected from -N= etc., Ring G 6 is selected from divalent aryl etc., A is selected from amino etc., G 4 is selected from oxygen etc., G 5 is selected from oxygen etc., G 7 is selected from -CH 2 - etc., and R 2 is selected from C 1-6 alkyl etc.

The second factor as inhibitor XIA pyridonecarboxylic dihydropyridines P1

-

Paragraph 0658, (2016/10/08)

The present invention provides compounds of Formula (X):(Formula (X), or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective factor XIa inhibitors or dual inhibitors of FXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHα RESPONSES

-

Paragraph 00285, (2014/05/24)

Compounds having the following formula I: or a stereoisomer or pharmaceutically-acceptable salt thereof, where R1, R2, R3, R4, and R5 are as defined herein, are useful in the modulation of IL-12, IL-23 and/or IFNa, by acting on Tyk-2 to cause signal transduction inhibition.

5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF

-

Page/Page column 75, (2011/02/24)

Novel 5-HT3 receptor modulators are disclosed. These compounds are used in the treatment of various disorders, including chemotherapy-induced nausea and vomiting, post-operative nausea and vomiting, and irritable bowel syndrome. Methods of making these compounds are also described in the present invention.

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