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2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI) is a chemical compound with the molecular formula C7H6N4O3. It is a derivative of benzimidazole, which is a heterocyclic compound containing a benzene ring fused to an imidazole ring. The 4-nitro group on 2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI) makes it a nitrobenzimidazole, which is a class of compounds often used in pharmaceuticals, agrochemicals, and dyes.

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  • 85330-50-3 Structure
  • Basic information

    1. Product Name: 2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI)
    2. Synonyms: 2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI);4-Nitro-1,3-dihydro-1,3-benzodiazol-2-one;2H-BenziMidazol-2-one,1,3-dihydro-4-nitro-(9Cl);4-Nitro-1,3-dihydro-2H-benzimidazol-2-one;4-nitro-1H-benzo[d]imidazol-2(3H)-one;4-Nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one
    3. CAS NO:85330-50-3
    4. Molecular Formula: C7H5N3O3
    5. Molecular Weight: 179.1329
    6. EINECS: N/A
    7. Product Categories: BENZIMIDAZOLE
    8. Mol File: 85330-50-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 211.5±19.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.506±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 10.67±0.30(Predicted)
    10. CAS DataBase Reference: 2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI)(85330-50-3)
    12. EPA Substance Registry System: 2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI)(85330-50-3)
  • 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: 85330-50-3(Hazardous Substances Data)

85330-50-3 Usage

Uses

Used in Pharmaceutical Industry:
2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI) is used as a drug candidate for various therapeutic purposes due to its potential medicinal properties.
Used in Organic Synthesis:
2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI) is used as an intermediate in organic synthesis, taking advantage of its electron-withdrawing nitro group for further chemical reactions.
Used in Agrochemicals:
2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI) is used as a component in agrochemicals, contributing to the development of pesticides and other agricultural products.
Used in Dyes:
2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI) is used in the production of dyes, where its chemical structure provides color and stability to the final product.
It is important to handle 2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI) with care, as nitro compounds can be explosive under certain conditions. Overall, 2H-Benzimidazol-2-one,1,3-dihydro-4-nitro-(9CI) is an important chemical compound with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 85330-50-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,5,3,3 and 0 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 85330-50:
(7*8)+(6*5)+(5*3)+(4*3)+(3*0)+(2*5)+(1*0)=123
123 % 10 = 3
So 85330-50-3 is a valid CAS Registry Number.

85330-50-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-nitro-1,3-dihydrobenzimidazol-2-one

1.2 Other means of identification

Product number -
Other names 4-Nitro-1,3-dihydro-benzoimidazol-2-one

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:85330-50-3 SDS

85330-50-3Relevant articles and documents

Preparation method of 4-amino-1, 3-dihydro-benzimidazole-2-one

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, (2020/07/15)

The invention provides a preparation method of 4-amino-1, 3-dihydro-benzimidazole-2-one, which comprises the following steps: Q1, preparation of 2, 6-dinitrochlorobenzene, Q2, preparation of 2, 6-dinitroaniline, Q3, preparation of 3-nitro-o-phenylenediamine, Q4, preparation of 4-nitro-1H-benzo[d]imidazole-2(3H)-one and Q5, preparation of 4-amino-1, 3-dihydro-benzimidazole-2-one. According to the preparation method, 3, 5-dinitro-4-chlorobenzoic acid which is low in price is used as a raw material, and the high-yield 4-amino-1, 3-dihydro-benzimidazole-2-one is obtained through reactions such asdecarboxylation and ammoniation. The whole reaction process is easy to control, the product yield is high, good social benefits and economic benefits can be brought, and the economic value potential is large.

BENZIMIDAZOLYL-ACETAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS

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Page/Page column 14; 17-18, (2013/07/25)

This invention relates to novel benzimidazolyl-acetamide derivatives to formula (l) and their use as modulators of small-conductance calcium-activated potassium channels (SK channels). Moreover the invention is directed to pharmaceutical compositions useful for the treatment or alleviation of diseases or disorders associated with the activity of potassium channels.

TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION

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Page/Page column 39, (2012/06/01)

This invention relates to tricycle I and its therapeutic and prophylactic uses, wherein the variables C1, C2, Z1, Z2, Q, J, R1, and R3 are defined in the specification. Disorders treated and/or prevented include rheumatoid arthritis.

"TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION"

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Page/Page column 25; 131, (2011/10/13)

The invention discloses compounds of formula I wherein Y is a group of formula A, B, C, D, or E: and W, Q, n, R1, R2, R3, U1-U5, J and K have the meanings given in the description. The compounds of formula I are TRPV1 antagonists and are useful as active

TRPV1 vanilloid receptor antagonists with a bicyclic portion

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Page/Page column 11, (2011/11/01)

The invention discloses compounds of formula I wherein Y s selected from a group of formula and W, Q, n, R1, R2, R3, U1-U5 have the meanings given in the description. The compounds of formula I are TRPV1 antagonists and are useful as active ingredients of pharmaceutical compositions for the treatment of pain and other conditions ameliorated by the inhibition of the vanilloid receptor TRPV1. 1.

TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS

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Page/Page column 55, (2009/01/24)

Compounds of formula I: wherein variables A1, A2, B, m, n, J, R4, G1, G2, G3 and Y are as described herein, which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS

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Page/Page column 97, (2008/06/13)

Compounds of formula I: (wherein variables A1, A2, A3, A4, A5, A6, A7, B1, B2, B3, B4, D1, D2, E1, E2, E3, E4, E5, G1, G2, R6, T, U, V, W, X, Y and Z are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

SPIROLACTAM TRICYCLIC CGRP RECEPTOR ANTAGONISTS

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Page/Page column 100-101, (2008/06/13)

Compounds of formula (I): (wherein variables A1, A2, A3, A4, A5, A6, A7, B1, B2, B3, B4, D1, D2, E1, E2, E3, E4, E5, G1, G2, J, K, T, U, V, W, X, Y and Z are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

TRICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS

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Page/Page column 51-52, (2008/06/13)

The present invention is directed to compounds of Formula I: I (where A1, A2, B1, B2, B3, B4, D1, D2, T, U, V, W, X, Y, Z, R4, R5a?, R5b/su

TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS

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Page/Page column 59, (2010/10/20)

The present invention is directed to compounds of Formula I: I (where A1, A2, B1, B2, B3, B4, D1, D2, J, K, T, U, V, W, X, Y, Z, R4, R5a, R5b, R5c, m and n are defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

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