Cas no 94-52-0 (5-nitro-1H-1,3-benzodiazole)

5-Nitro-1H-1,3-benzodiazole is a heterocyclic organic compound featuring a nitro group attached to a benzodiazole core. This structure imparts notable reactivity, making it a valuable intermediate in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and dyes. The nitro group enhances electrophilic properties, facilitating further functionalization through reduction or substitution reactions. Its benzodiazole scaffold contributes to stability and compatibility with diverse reaction conditions. The compound is often utilized in research and industrial applications where precise nitro-aromatic modifications are required. Proper handling is essential due to potential sensitivity to heat and shock, in line with standard safety protocols for nitro-containing compounds.
5-nitro-1H-1,3-benzodiazole structure
5-nitro-1H-1,3-benzodiazole structure
Product Name:5-nitro-1H-1,3-benzodiazole
CAS No:94-52-0
MF:C7H5N3O2
MW:163.133500814438
MDL:MFCD00005604
CID:34750
PubChem ID:87573536
Update Time:2025-06-22

5-nitro-1H-1,3-benzodiazole Chemical and Physical Properties

Names and Identifiers

    • 5-Nitro-1H-benzo[d]imidazole
    • 5-Nitro-1H-benzimidazole
    • 5-Nitrobenzimidazole nitrate salt
    • 6-Nitrobenzimidazole
    • 5-Nitrobenzimidazole
    • 1H-BENZIMIDAZOLE,5-NITRO-
    • 5-Nitro-1H-1,3-benzodiazole
    • 6-nitrobenzimdazole
    • 5-nitro-benzimidazol
    • 5-nitrobenzoimidazole
    • 5-Nrtiobenzimidazole
    • 6-nitro-benzimidazol
    • Benzimidazole,5-nitro
    • 1H-Benzimidazole, 6-nitro-
    • 1H-Benzimidazole, 5-nitro-
    • 6-Nitro-1H-benzimidazole
    • 6-Nitro-benzimidazole
    • 5(6)-Nitrobenzimidazole
    • Benzimidazole, 6-nitro-
    • Benzimidazole, 5-nitro-
    • 5-Nitro-1H-benzoimidazole
    • 6-nitro-1H-1,3-benzodiazole
    • A7V95AYT2T
    • MLS002637666
    • XPAZGLFMMUO
    • 1H-Benzimidazole, 5-nitro- (9CI)
    • 6-Nitro-1H-benzimidazole (ACI)
    • Benzimidazole, 5(or 6)-nitro- (6CI, 7CI)
    • Benzimidazole, 5-nitro- (8CI)
    • NSC 3068
    • NSC 58858
    • 5-Nitrobenzimidazole, 98%
    • EN300-34514
    • N0152
    • Q27273738
    • BDBM50208881
    • Tox21_201684
    • Tox21_302828
    • 4msa
    • NCGC00091868-05
    • Oprea1_664147
    • NCGC00256398-01
    • UNII-A7V95AYT2T
    • AS-46775
    • HMS3079A05
    • AE-641/30196001
    • benzimidazole, 5(6)-nitro-
    • CS-W010848
    • ALBB-036670
    • 2ZM
    • 5-NITROBENZIMIDAZOLE [HSDB]
    • NCGC00091868-06
    • s10799
    • NSC-3068
    • NS00020041
    • W-100194
    • SCHEMBL271340
    • DB-057506
    • STK299272
    • DTXCID60965
    • AC-11286
    • NSC58858
    • NCGC00259233-01
    • AKOS003790796
    • 5-nitrobenzoimidazol
    • BCP26862
    • F0020-1984
    • NCI-C01912
    • NSC-58858
    • AKOS015970456
    • NCGC00091868-02
    • 4n9c
    • HSDB 2864
    • EU-0067493
    • MFCD00005604
    • AKOS000275609
    • DTXSID8020965
    • SR-01000394488-1
    • Oprea1_525754
    • SMR001305771
    • 94-52-0
    • CAS-94-52-0
    • EINECS 202-341-2
    • NCGC00091868-03
    • MFCD00040457
    • 5-nitro-benzimidazole
    • HY-W010132
    • SY003312
    • CHEMBL164921
    • CCRIS 442
    • WLN: T56 BM DNJ HNW
    • 1ST5513
    • AI3-52609
    • InChI=1/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9
    • Benzimidazole, 5(or 6)-nitro-
    • 6-Nitro-1H-benzoimidazole
    • NCGC00091868-04
    • NSC3068
    • SR-01000394488
    • 5(6)-nitro-benzimidazole
    • NCGC00091868-01
    • 5-nitro-1H-1,3-benzodiazole
    • MDL： MFCD00005604
    • Inchi： 1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
    • InChI Key： XPAZGLFMMUODDK-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=C2C(N=CN2)=CC=1)=O
    • BRN： 7926

Computed Properties

  • Exact Mass: 163.03800
  • Monoisotopic Mass: 163.038176
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 192
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 74.5
  • Surface Charge: 0
  • Tautomer Count: 2

Experimental Properties

  • Color/Form: Light yellow powder.
  • Density: 1.4141 (rough estimate)
  • Melting Point: 207.0 to 211.0 deg-C
  • Boiling Point: 475.7°C at 760 mmHg
  • Flash Point: 241.5 oC
  • Refractive Index: 1.5500 (estimate)
  • PH: 6 (10g/l, H2O, 20℃)(slurry)
  • Solubility: 0.5g/l
  • Water Partition Coefficient: <0.01 g/100 mL at 16.5 oC
  • Stability/Shelf Life: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
  • PSA: 74.50000
  • LogP: 1.99430
  • FEMA: 2420
  • Solubility: Not determined
  • Sensitiveness: Sensitive to humidity
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

5-nitro-1H-1,3-benzodiazole Security Information

  • Symbol: GHS07
  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H315,H319,H335
  • Warning Statement： P261,P305+P351+P338
  • Hazardous Material transportation number：2811
  • WGK Germany：3
  • Hazard Category Code： R22;R40
  • Safety Instruction： S26-S45-S36/37
  • RTECS：DD9800000
  • Hazardous Material Identification： Xn
  • TSCA：Yes
  • Storage Condition：Sealed in dry,Room Temperature(BD4443)
  • Risk Phrases：R22; R40

5-nitro-1H-1,3-benzodiazole Customs Data

  • HS CODE：29339990
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-nitro-1H-1,3-benzodiazole Pricemore >>

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5-nitro-1H-1,3-benzodiazole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ;  480 min
Reference
Synthesis and evaluation of selected benzimidazole derivatives as potential antimicrobial agents
Alasmary, Fatmah A. S.; Snelling, Anna M.; Zain, Mohammed E.; Alafeefy, Ahmed M.; Awaad, Amani S.; et al, Molecules, 2015, 20(8), 15206-15223

Production Method 2

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Water ;  10 min, 50 °C
Reference
Method for synthesizing benzimidazole compounds by using benzamidine compound in water phase by microwave method
, China, , ,

5-nitro-1H-1,3-benzodiazole Raw materials

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Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:94-52-0)5-nitro-1H-1,3-benzodiazole
Order Number:A15926
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:04
Price ($):264.0
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:94-52-0)5-Nitrobenzimidazole
Order Number:sfd19425
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:94-52-0)5-Nitrobenzimidazole
Order Number:LE10719;LE5868712
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:03
Price ($):discuss personally

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Amadis Chemical Company Limited
(CAS:94-52-0)5-nitro-1H-1,3-benzodiazole
A15926
Purity:99%
Quantity:500g
Price ($):264.0
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:94-52-0)5-Nitrobenzimidazole
sfd19425
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email