5-Nitro-1H-benzo[d]imidazol-2(3H)-one

Modify Date: 2026-07-15 20:18:20

5-Nitro-1H-benzo[d]imidazol-2(3H)-one Structure
5-Nitro-1H-benzo[d]imidazol-2(3H)-one structure
Common Name 5-Nitro-1H-benzo[d]imidazol-2(3H)-one
CAS Number 93-84-5 Molecular Weight 179.133
Density 1.5±0.1 g/cm3 Boiling Point 202.9±19.0 °C at 760 mmHg
Molecular Formula C7H5N3O3 Melting Point >300 °C(lit.)
MSDS N/A Flash Point 76.5±21.5 °C

 Names

Name 5-Nitro-2-Benzimidazolinone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 202.9±19.0 °C at 760 mmHg
Melting Point >300 °C(lit.)
Molecular Formula C7H5N3O3
Molecular Weight 179.133
Flash Point 76.5±21.5 °C
Exact Mass 179.033096
PSA 94.47000
LogP 1.51
Vapour Pressure 0.3±0.4 mmHg at 25°C
Index of Refraction 1.635
InChIKey DLJZIPVEVJOKHB-UHFFFAOYSA-N
SMILES O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1

 Safety Information

Hazard Codes T+
Risk Phrases R20/22
Safety Phrases S22-S36/37
RIDADR 2811
WGK Germany 1
Packaging Group III
Hazard Class 6.1
HS Code 2933990090

 Synthetic Route

 Customs

HS Code 2933990090
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-benzo[d]imidazol-2(3H)-oneBioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
Name: Cell survival assay for modulators of telomere damage signalling
Source: 15378
Target: N/A
External Id: TELO_02
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 Synonyms

5 (6)-Nitrobenzimidazol-2-one
MFCD00220274
5-Nitro-1,3-dihydro-2H-benzimidazol-2-one
5-nitro-1,3-dihydrobenzimidazol-2-one
EINECS 202-282-2
5-nitro-2,3-dihydro-1H-benzo[d]imidazol-2-one
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