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4-Bromo-2-nitrobenzoic acid is an organic compound that serves as a key intermediate in the synthesis of various pharmaceuticals and organic compounds. It is characterized by the presence of a bromine atom at the 4-position and a nitro group at the 2-position on a benzene ring, with a carboxylic acid functional group.

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  • 99277-71-1 Structure
  • Basic information

    1. Product Name: 4-Bromo-2-nitrobenzoic acid
    2. Synonyms: 4-BROMO-2-NITROBENZOIC ACID;2-NITRO-4-BROMO BENZOIC ACID;4-Bromo-2-Nitrobenzoic Acid 2-Nitro-4-Bromobenzoic Acid;4-bromo-2-nitrobenzoic;Bromonitrobenzoicacid 42---;5-Bromo-2-carboxynitrobenzene;2-Bromo-2-nitrobenzoic acid
    3. CAS NO:99277-71-1
    4. Molecular Formula: C7H4BrNO4
    5. Molecular Weight: 246.01
    6. EINECS: 1312995-182-4
    7. Product Categories: blocks;Bromides;Carboxes;NitroCompounds;Multisubstituted Benzene;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;C7;Carbonyl Compounds;Carboxylic Acids;intermediate
    8. Mol File: 99277-71-1.mol
  • Chemical Properties

    1. Melting Point: 165-169 °C
    2. Boiling Point: 368.6 °C at 760 mmHg
    3. Flash Point: 176.7 °C
    4. Appearance: /
    5. Density: 1.892 g/cm3
    6. Vapor Pressure: 4.38E-06mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: soluble in Methanol
    10. PKA: 1.97±0.25(Predicted)
    11. CAS DataBase Reference: 4-Bromo-2-nitrobenzoic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-Bromo-2-nitrobenzoic acid(99277-71-1)
    13. EPA Substance Registry System: 4-Bromo-2-nitrobenzoic acid(99277-71-1)
  • Safety Data

    1. Hazard Codes: Xn,N,Xi
    2. Statements: 22-36/37/38-43-50
    3. Safety Statements: 26-36/37-61
    4. RIDADR: UN 3077 9/PG 3
    5. WGK Germany: 2
    6. RTECS:
    7. HazardClass: IRRITANT
    8. PackingGroup: III
    9. Hazardous Substances Data: 99277-71-1(Hazardous Substances Data)

99277-71-1 Usage

Uses

Used in Pharmaceutical Industry:
4-Bromo-2-nitrobenzoic acid is used as an intermediate in the synthesis of Lonafarnib (L469445), a potential anticancer agent. It plays a crucial role in the development of this drug, which targets specific enzymes involved in cancer cell growth and proliferation.
Used in Organic Synthesis:
4-Bromo-2-nitrobenzoic acid is used as a reactant in Negishi-type coupling reactions with dimethylzinc in the presence of palladium-phosphine catalysis. This reaction allows for the formation of new carbon-carbon bonds, enabling the synthesis of a wide range of organic compounds with potential applications in various industries, including pharmaceuticals, agrochemicals, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 99277-71-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,9,2,7 and 7 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 99277-71:
(7*9)+(6*9)+(5*2)+(4*7)+(3*7)+(2*7)+(1*1)=191
191 % 10 = 1
So 99277-71-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H4BrNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)/p-1

99277-71-1 Well-known Company Product Price

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  • Alfa Aesar

  • (H27541)  4-Bromo-2-nitrobenzoic acid, 97%   

  • 99277-71-1

  • 1g

  • 425.0CNY

  • Detail
  • Alfa Aesar

  • (H27541)  4-Bromo-2-nitrobenzoic acid, 97%   

  • 99277-71-1

  • 5g

  • 1366.0CNY

  • Detail

99277-71-1SDS

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 4-Bromo-2-nitrobenzoic acid

1.2 Other means of identification

Product number -
Other names 2-nitro-4-bromobenzoic acid

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:99277-71-1 SDS

99277-71-1Relevant articles and documents

Synthesis and solid-phase purification of anthranilic sulfonamides as CCK-2 ligands

Woods, Craig R.,Hack, Michael D.,Allison, Brett D.,Phuong, Victor K.,Rosen, Mark D.,Morton, Magda F.,Prendergast, Clodagh E.,Barrett, Terrance D.,Shankley, Nigel P.,Rabinowitz, Michael H.

, p. 6905 - 6909 (2008/04/07)

A novel strategy for the synthesis of cholecystokinin-2 receptor ligands was developed. The route employs a solution-phase synthesis of a series of anthranilic sulfonamides followed by a resin capture purification strategy to produce multi-milligram quant

Oxidation of 4-halo-2-nitrotoluene with tetrabutylammonium permanganate in pyridine: Development and safety evaluation

Deng, Xiaohu,Stefanick, Stephen,Pippel, Marna C. W.,Mani, Neelakandha S.

, p. 1287 - 1291 (2012/12/23)

4-Halo-2-nitrobenzoic acids are synthesized by oxidation of 4-halo-2-nitrotoluene with tetrabutylammonium permanganate (TBAP) in pyridine in multigram quantities. A significant induction period is observed at room temperature, and the vigorous exothermic

Identification and optimization of anthranilic sulfonamides as novel, selective cholecystokinin-2 receptor antagonists

Allison, Brett D.,Phuong, Victor K.,McAtee, Laura C.,Rosen, Mark,Morton, Magda,Prendergas, Clodagh,Barrett, Terry,Lagaud, Guy,Freedman, Jamie,Li, Na,Wu, Xiaodong,Venkatesan, Hariharan,Pippel, Marna,Woods, Craig,Rizzolio, Michèle C.,Hack, Michael,Hoey, Kenway,Deng, Xiaohu,King, Christopher,Shankley, Nigel P.,Rabinowitz, Michael H.

, p. 6371 - 6390 (2008/04/18)

A high throughput screening approach to the identification of selective cholecystokinin-2 receptor (CCK-2R) ligands resulted in the discovery of a novel series of antagonists, represented by 1-[2-[(2,1,3-benzothiadiazol-4- ylsulfonyl)amino]-5-chlorobenzoy

GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF

-

Page/Page column 87-88, (2010/11/30)

The invention relates to glycogen phosphorylase inhibitor compounds, pharmaceutical compositions of these compounds, methods of treatment using the pharmaceutical compositions to treat diabetes, conditions associated with diabetes, and/or tissue ischemia,

SULFONAMIDE COMPOUNDS

-

Page/Page column 29; 61, (2010/10/20)

Certain sulfonamide compounds are dual CCK1/CCK2 inhibitors useful in the treatment of CCK1/CCK2 mediated diseases.

Quinoxaline compounds

-

Page/Page column 11, (2008/06/13)

Certain amidophenyl-sulfonylamino-quinoxaline compounds are CCK2 modulators useful in the treatment of CCK2 mediated diseases.

Combination therapy with CHK1 inhibitors

-

, (2008/06/13)

Compounds of Structure I, and salts, tautomers, stereoisomers, and mixtures thereof may be used in methods of inhibiting checkpoint kinase 1 in subjects, in methods for inducing cell cycle progression, and in methods for increasing apoptosis in cells. Such compounds may be used to prepare pharmaceutical compositions and may be used in conjunction with DNA damaging agents.

Inhibition of FGFR3 and treatment of multiple myeloma

-

, (2008/06/13)

Methods of inhibiting fibroblast growth factor receptor 3 and treating various conditions mediated by fibroblast growth factor receptor 3 are provided that include administering to a subject a compound of Structure I, a pharmaceutically acceptable salt thereof, a tautomer thereof, or a pharmaceutically acceptable salt of the tautomer. Compounds having the Structure I have the following structure where and have the variables described herein. Such compounds may be used to prepare medicaments for use in inhibiting fibroblast growth factor receptor 3 and for use in treating conditions mediated by fibroblast growth factor receptor 3 such as multiple myeloma.

Quinazoline derivatives

-

Page/Page column 30-31, (2010/02/07)

A compound of the formula (I) or a pharmaceutically acceptable salt thereof, a hydrate thereof, a solvate thereof, an optically active compound thereof, a racemate thereof or a diastereomer mixture thereof has a superior tyrosine-specific protein kinase inhibitory activity and is useful as a pharmaceutical agent, particularly as an agent for the prophylaxis or treatment of various cancers, psoriasis or diseases caused by arteriosclerosis, and the like.

BENZIMIDAZOLE QUINOLINONES AND USES THEREOF

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Page 320-321, (2008/06/13)

Methods of inhibiting various enzymes and treating various conditions are provided that include administering to a subject a compound of Structure I or IB, a pharmaceutically acceptable salt thereof, a tautomer thereof, or a pharmaceutically acceptable salt of the tautomer. Compounds having the Structure I and IB have the following structures and have the variables described herein. Such compounds may be used to prepare medicaments for use in inhibiting various enzymes and for use in treating conditions mediated by such enzymes.

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