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CAS

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130046-91-2

Benzoic acid, 5-fluoro-2-hydroxy-3-nitro(9CI) is a unique organic compound belonging to the benzoic acid class, characterized by a benzene ring with a carboxylic acid function. The distinctive substitution pattern, with a fluorine atom at the 5-position, a hydroxyl group at the 2-position, and a nitro group at the 3-position, endows this compound with specific properties and potential applications in various fields.

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  • 130046-91-2 Structure

  • Basic information

    1. Product Name: Benzoic acid, 5-fluoro-2-hydroxy-3-nitro- (9CI)
    2. Synonyms: Benzoic acid, 5-fluoro-2-hydroxy-3-nitro- (9CI);Benzoic acid, 5-fluoro-2-hydroxy-3-nitro-;5-Fluoro-2-hydroxy-3-nitrobenzoic acid
    3. CAS NO:130046-91-2
    4. Molecular Formula: C7H4FNO5
    5. Molecular Weight: 201.1087632
    6. EINECS: N/A
    7. Product Categories: AMINOACID
    8. Mol File: 130046-91-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 330.0±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.727±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 1.67±0.20(Predicted)
    10. CAS DataBase Reference: Benzoic acid, 5-fluoro-2-hydroxy-3-nitro- (9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: Benzoic acid, 5-fluoro-2-hydroxy-3-nitro- (9CI)(130046-91-2)
    12. EPA Substance Registry System: Benzoic acid, 5-fluoro-2-hydroxy-3-nitro- (9CI)(130046-91-2)

  • 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: 130046-91-2(Hazardous Substances Data)

130046-91-2 Usage

Uses

Used in Pharmaceutical Industry:
Benzoic acid, 5-fluoro-2-hydroxy-3-nitro(9CI) is used as a pharmaceutical compound for its potential therapeutic effects. The specific functional groups and structural features of this compound may contribute to its bioactivity, making it a candidate for the development of new drugs or as a modifier to enhance the properties of existing pharmaceuticals.
Used as a Starting Material in Organic Synthesis:
In the field of organic chemistry, Benzoic acid, 5-fluoro-2-hydroxy-3-nitro(9CI) serves as a valuable starting material for the synthesis of various organic compounds. Its unique substitution pattern allows for a range of chemical reactions, enabling the creation of diverse molecules with different properties and applications.
Used as a Chemical Intermediate:
Benzoic acid, 5-fluoro-2-hydroxy-3-nitro(9CI) also finds use as a chemical intermediate in the production of other compounds. Its presence in the synthesis process can facilitate the formation of desired products, making it an essential component in the manufacturing of specific chemicals or materials.

Check Digit Verification of cas no

The CAS Registry Mumber 130046-91-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,0,0,4 and 6 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 130046-91:
(8*1)+(7*3)+(6*0)+(5*0)+(4*4)+(3*6)+(2*9)+(1*1)=82
82 % 10 = 2
So 130046-91-2 is a valid CAS Registry Number.

130046-91-2SDS

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 5-Fluoro-2-hydroxy-3-nitrobenzoic acid

1.2 Other means of identification

Product number -
Other names -

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:130046-91-2 SDS

130046-91-2Relevant articles and documents

A series of potent crebbp bromodomain ligands reveals an induced-fit pocket stabilized by a cation-π interaction

Rooney, Timothy P. C.,Filippakopoulos, Panagis,Fedorov, Oleg,Picaud, Sarah,Cortopassi, Wilian A.,Hay, Duncan A.,Martin, Sarah,Tumber, Anthony,Rogers, Catherine M.,Philpott, Martin,Wang, Minghua,Thompson, Amber L.,Heightman, Tom D.,Pryde, David C.,Cook, Andrew,Paton, Robert S.,Mueller, Susanne,Knapp, Stefan,Brennan, Paul E.,Conway, Stuart J.

supporting information, p. 6126 - 6130 (2014/06/23)

The benzoxazinone and dihydroquinoxalinone fragments were employed as novel acetyl lysine mimics in the development of CREBBP bromodomain ligands. While the benzoxazinone series showed low affinity for the CREBBP bromodomain, expansion of the dihydroquino

BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP)

-

Page/Page column 56, (2009/08/16)

A compound having the structure set forth in Formula (I) or Formula (II): wherein the variables Y, R1, R2, R3, and R4 are as defined herein. Provided herein are inhibitors of poly(ADP-ribose)polymerase activity. Also described herein are pharmaceutical compositions that include at least one compound described herein and the use of a compound or pharmaceutical composition described herein to treat diseases, disorders and conditions that are ameliorated by the inhibition of PARP activity.

Method of using fluorosubstituted benzene derivatives in F-NMR imaging

-

, (2008/06/13)

Fluorosubstituted benzene derivatives of Formula I STR1 wherein Y, R2, R3 and R4 are defined herein, are NMR diagnostic agents.

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