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2-BROMO-4-METHOXY-6-NITROPHENOL, also known as bromonitroxynol, is a chemical compound with the molecular formula C7H6BrNO4. It is a yellow crystalline solid that possesses unique chemical properties, making it a versatile intermediate in various industrial applications.

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  • 115929-59-4 Structure
  • Basic information

    1. Product Name: 2-BROMO-4-METHOXY-6-NITROPHENOL
    2. Synonyms: 2-BROMO-4-METHOXY-6-NITROBENZENOL;2-BROMO-4-METHOXY-6-NITROPHENOL;3-Bromo-4-hydroxy-5-nitroanisole, 3-Bromo-2-hydroxy-5-methoxynitrobenzene;2-Bromo-4-methoxy-6-nitrophenol 97%
    3. CAS NO:115929-59-4
    4. Molecular Formula: C7H6BrNO4
    5. Molecular Weight: 248.03
    6. EINECS: N/A
    7. Product Categories: Aromatic Halides (substituted);Organic Building Blocks;Oxygen Compounds;Phenols;Building Blocks;C6 to C8;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds
    8. Mol File: 115929-59-4.mol
  • Chemical Properties

    1. Melting Point: 116-120 °C(lit.)
    2. Boiling Point: 288 °C at 760 mmHg
    3. Flash Point: 128 °C
    4. Appearance: /
    5. Density: 1.773 g/cm3
    6. Vapor Pressure: 0.00139mmHg at 25°C
    7. Refractive Index: 1.618
    8. Storage Temp.: N/A
    9. Solubility: soluble in Acetone
    10. CAS DataBase Reference: 2-BROMO-4-METHOXY-6-NITROPHENOL(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-BROMO-4-METHOXY-6-NITROPHENOL(115929-59-4)
    12. EPA Substance Registry System: 2-BROMO-4-METHOXY-6-NITROPHENOL(115929-59-4)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 115929-59-4(Hazardous Substances Data)

115929-59-4 Usage

Uses

Used in Pharmaceutical Industry:
2-BROMO-4-METHOXY-6-NITROPHENOL is used as an intermediate in the synthesis of various organic compounds for the development of pharmaceutical products. Its unique chemical structure allows for the creation of new drug molecules with potential therapeutic applications.
Used in Dye Industry:
In the dye industry, 2-BROMO-4-METHOXY-6-NITROPHENOL serves as a dye intermediate, contributing to the production of a wide range of colorants used in various applications, such as textiles, plastics, and printing inks.
Used in Chemical Research:
As a reagent in chemical research, 2-BROMO-4-METHOXY-6-NITROPHENOL aids in the investigation of chemical reactions and the development of new synthetic methods. Its unique properties make it a valuable tool for understanding and advancing chemical science.
Used in Biological and Medical Research:
2-BROMO-4-METHOXY-6-NITROPHENOL can be utilized as a fluorescent probe in biological and medical research. Its ability to emit fluorescence upon interaction with specific biological molecules allows for the study of various biological processes and the development of diagnostic tools.
However, it is crucial to handle 2-BROMO-4-METHOXY-6-NITROPHENOL with care due to its potential toxicity and harmful effects on human health. Proper safety measures and precautions should be taken to minimize risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 115929-59-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,5,9,2 and 9 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 115929-59:
(8*1)+(7*1)+(6*5)+(5*9)+(4*2)+(3*9)+(2*5)+(1*9)=144
144 % 10 = 4
So 115929-59-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H6BrNO4/c1-13-4-2-5(8)7(10)6(3-4)9(11)12/h2-3,10H,1H3

115929-59-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-BROMO-4-METHOXY-6-NITROPHENOL

1.2 Other means of identification

Product number -
Other names 3-Bromo-4-hydroxy-5-nitroanisole

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:115929-59-4 SDS

115929-59-4Relevant articles and documents

Design, synthesis and biological evaluation of exiguamine A analogues as IDO1 inhibitors

Dong, Junmin,Pan, Xuan,Yang, Ying,Zhang, Guangyan,Xiao, Zhiyan,Liu, Zhanzhu

, (2021/06/22)

A series of exiguamine A analogues were designed and synthesized via 15 steps. Their inhibitory activities against IDO1 were tested and the structure-activity relationships were studied. Most compounds exhibited potent IDO1 inhibitory activities with IC50 values at the level of 10?7–10?8 M. Compound 21f was the most potent IDO1 inhibitor with an IC50 value of 65.3 nM, which was comparable with the positive control drug epacadostat (IC50 = 46 nM). Moreover, compound 21f showed higher selectivity for IDO1 over tryptophan 2,3-dioxygenase (TDO) and no cytotoxicity at its effective concentration, rending it justifiable for further optimization and evaluation.

THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES

-

Paragraph 0130, (2021/05/06)

A therapeutic agent for treating at least one disease selected from the group consisting of inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases, comprising: at least one selected from the group consisting of a compound represented by the following general formula (1) and pharmacologically acceptable salts thereof as an active ingredient. [In the formula (1), R1 and R2 may be the same or different and each represents a hydrogen atom, a halogen atom, a hydroxyl group, a carboxy group, a cyano group, an optionally substituted C1-6 alkyl group et al.; R3 represents a hydrogen atom; R4 represents an optionally substituted 4- to 10-membered monocyclic heterocyclic group containing 1 to 4 heteroatoms selected from an oxygen atom, a nitrogen atom, and a sulfur atom; X represents a group represented by the following formula: -CH2-, - CH2-CH2-, -CH2-CH2-CH2-, or -CH2-O-CH2-; and Z represents a hydrogen atom or a hydroxyl group.]

NOVEL COMPOUND AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF

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Paragraph 1140; 1141, (2019/11/05)

A compound represented by the general formula (1) below or a pharmacologically acceptable salt thereof: [In the formula (1), R1 and R2 may be the same or different and each represents a hydrogen atom, a halogen atom, a hydroxyl group, a carboxy group, a cyano group, an optionally substituted C1-6 alkyl group et al.; R3 represents a hydrogen atom; R4 represents an optionally substituted 4- to 10-membered monocyclic heterocyclic group containing 1 to 4 heteroatoms selected from an oxygen atom, a nitrogen atom, and a sulfur atom; X represents a group represented by the following formula: —CH2—, —CH2—CH2—, —CH2—CH2—CH2—, or —CH2—O—CH2—; and Z represents a hydrogen atom or a hydroxyl group.]

A formal synthesis of lavendamycin methyl ester, nitramarine, and their analogues: A povarov approach

Ramesh, Subburethinam,Nagarajan, Rajagopal

, p. 545 - 558 (2013/03/14)

A convergent formal synthesis of lavendamycin methyl ester and synthesis of its analogues have been delineated through the Povarov approach. This protocol is also applied to the formal synthesis of nitramarine (3) in good yield.

Total synthesis of herbimycin A

Canova, Sophie,Bellosta, Veronique,Bigot, Antony,Mailliet, Patrick,Mignani, Serge,Cossy, Janine

, p. 145 - 148 (2007/10/03)

(Chemical Equation Presented) Hsp90 has recently emerged as a promising biological target for treatment of cancer. Herbimycin A and other members of the benzoquinoid ansamycin class of natural products are known to inhibit Hsp90 activity. The total synthesis of herbimycin A was achieved from the commercially available Roche ester 1 by using allylmetals to control the stereogenic centers at C6, C7, C10, C11, and C12 and a ring-closing metathesis to control the (Z)-double bond of the (E,Z)-dienic moiety.

Prodrug substituted benzoxazoles as estrogenic agents

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Page/Page column 27, (2010/10/20)

This invention provides estrogen receptor modulators of formula I, having the structure wherein Q, Q2, R1, R2, R2a, R3, R3a, and X as defined in the specification, or a pharmaceutically acceptable salt thereof.

Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-β ligands

Malamas, Michael S.,Manas, Eric S.,McDevitt, Robert E.,Gunawan, Iwan,Xu, Zhang B.,Collini, Michael D.,Miller, Chris P.,Dinh, Tam,Henderson, Ruth A.,Keith Jr., James C.,Harris, Heather A.

, p. 5021 - 5040 (2007/10/03)

New diphenolic azoles as highly selective estrogen receptor-β agonists are reported. The more potent and selective analogues of these series have comparable binding affinities for ERβ as the natural ligand 17β-estradiol but are > 100-fold selective over ERα. Our design strategy not only followed a traditional SAR approach but also was supported by X-ray structures of ERβ cocrystallized with various ligands as well as molecular modeling studies. These strategies enabled us to take advantage of a single conservative residue substitution in the ligand-binding pocket, ERα Met421 → ERβ Ile373, to optimize ERβ selectivity. The 7-position-substituted benzoxazoles (Table 5) were the most selective ligands of both azole series, with ERB-041 (117) being >200-fold selective for ERβ. The majority of ERβ selective agonists tested that were at least sim;50-fold selective displayed a consistent in vivo profile: they were inactive in several models of classic estrogen action (uterotrophic, osteopenia, and vasomotor instability models) and yet were active in the HLA-B27 transgenic rat model of inflammatory bowel disease. These data suggest that ERβ-selective agonists are devoid of classic estrogenic effects and may offer a novel therapy to treat certain inflammatory conditions.

Substituted benzoxazoles as estrogenic agents

-

, (2008/06/13)

This invention provides estrogen receptor modulators of formula I, having the structure wherein R1, R2, R2a, R3, R3a, and R4, and X as defined in the specification, or a pharmaceutically acceptable salt thereof.

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