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2-Bromo-4-(tert-butyl)-6-nitroaniline is a chemical compound that belongs to the class of nitroanilines. It is a derivative of aniline, characterized by the presence of a bromine atom at the 2-position, a tert-butyl group at the 4-position, and a nitro group at the 6-position. 2-BroMo-4-(tert-butyl)-6-nitroaniline is primarily used as an intermediate in the synthesis of various organic compounds and has potential applications in the development of new materials and pharmaceutical products.

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  • 1027356-55-3 Structure
  • Basic information

    1. Product Name: 2-BroMo-4-(tert-butyl)-6-nitroaniline
    2. Synonyms: 2-BroMo-4-(tert-butyl)-6-nitroaniline;2-Bromo-4-tert-butyl-6-nitro-phenylamine
    3. CAS NO:1027356-55-3
    4. Molecular Formula: C10H13BrN2O2
    5. Molecular Weight: 273.12642
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1027356-55-3.mol
  • Chemical Properties

    1. Melting Point: 61 °C
    2. Boiling Point: 317.0±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.465±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: -1.77±0.25(Predicted)
    10. CAS DataBase Reference: 2-BroMo-4-(tert-butyl)-6-nitroaniline(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-BroMo-4-(tert-butyl)-6-nitroaniline(1027356-55-3)
    12. EPA Substance Registry System: 2-BroMo-4-(tert-butyl)-6-nitroaniline(1027356-55-3)
  • 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: 1027356-55-3(Hazardous Substances Data)

1027356-55-3 Usage

Uses

Used in Pharmaceutical Industry:
2-Bromo-4-(tert-butyl)-6-nitroaniline is used as a chemical intermediate for the synthesis of pharmaceuticals. Its unique structure and properties make it a valuable component in the development of new drugs and medicinal compounds.
Used in Dye Industry:
2-BroMo-4-(tert-butyl)-6-nitroaniline is also used as an intermediate in the synthesis of dyes. Its specific chemical structure allows for the creation of various colorants used in different applications, such as textiles, plastics, and printing inks.
Used in Agrochemical Industry:
2-Bromo-4-(tert-butyl)-6-nitroaniline is utilized as a precursor in the production of agrochemicals. Its involvement in the synthesis of various agrochemicals contributes to the development of effective pesticides, herbicides, and other agricultural products.
Used in Chemical Research and Testing:
Due to its unique chemical properties, 2-Bromo-4-(tert-butyl)-6-nitroaniline is employed in chemical research and testing. It serves as a valuable tool for understanding the behavior of nitroanilines and their derivatives, as well as for exploring new chemical reactions and synthesis pathways.
It is crucial to handle 2-Bromo-4-(tert-butyl)-6-nitroaniline with care and adhere to proper safety protocols due to its potential hazards.

Check Digit Verification of cas no

The CAS Registry Mumber 1027356-55-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,2,7,3,5 and 6 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1027356-55:
(9*1)+(8*0)+(7*2)+(6*7)+(5*3)+(4*5)+(3*6)+(2*5)+(1*5)=133
133 % 10 = 3
So 1027356-55-3 is a valid CAS Registry Number.

1027356-55-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Bromo-4-(tert-butyl)-6-nitroaniline

1.2 Other means of identification

Product number -
Other names 2-bromo-4-tert-butyl-6-nitroaniline

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:1027356-55-3 SDS

1027356-55-3Relevant articles and documents

Molecular spur gears comprising triptycene rotators and bibenzimidazole-based stators

Frantz, Derik K.,Linden, Anthony,Baldridge, Kim K.,Siegel, Jay S.

, p. 1528 - 1535 (2012/03/10)

Dynamic gearing of molecular spur gears, the most common type of mechanical gear, is elucidated. Molecular design and conformational analysis show that derivatives of 4,4-bis(triptycen-9-ylethynyl)bibenzimidazole represent suitable constructs to investigate gearing behavior of collateral triptycene (Tp) groups. To test this design, DFT calculations (B97-D/Def2-TZVP) were employed and the results suggest that these molecules undergo geared rotation preferentially to gear slippage. Synthesis of derivatives was carried out, providing a series of molecular spur gears, including the first desymmetrized spur gear molecules, which were subsequently subjected to stereochemical analysis.

BENZIMIDAZOLE ANTIVIRAL AGENTS

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Page/Page column 122-123, (2011/09/14)

Provided are compounds of Formula (I) and (II) and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the Flaviviridae family of viruses such as hepatitis C virus (HCV).

HETEROCYCLIC ANTIVIRAL COMPOUNDS

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Page/Page column 35-36, (2010/12/29)

Compounds having the formula I wherein wherein R1, R2, R3, R4, X1, X2, X3 and X4 and as defined herein are Hepatitis C virus NS5b polymerase inhibitors. Also disclosed are compositions and methods for treating an HCV infection and inhibiting HCV replication.

URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C

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Page/Page column 195-196, (2009/04/25)

Present application relates to the compounds of formula I useful to treat hepatitis C (HCV) infections. In the structure of the disclosed compounds is the uracil or thymine derivative linked via a phenylene into either fused 2-ring cyclic system (R6) or alternatively via additional two-atom linker (L) to a 5-6 membered monocycle (R6). Application further discloses polymorphs and pseudopolymorphs of two specific compounds: N-(6(3-t-butyl-5-(2>4-dioxo-3,4-dihydropyrimidin-1 (2H)- y!)2-methoxy-phenyl)naphthalen-2-yl)methanesulfonamide and (E)-N-(4(3-t- butyl-5-(2,4-dioxo-3)4-dihydropyrimidin-1 (2H)-yl)2-methoxy-styryl- phenyl)methanesulfonamide.

ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF

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Page/Page column 124-125, (2009/04/25)

This invention relates to: (a) compounds and salts thereof that, inter alia, inhibit HCV; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such intermediates, compounds, salts, and compositions; (e) methods of use of such compounds, salts, and compositions; and (f) kits comprising such compounds, salts, and compositions.

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