Basic information
- CAS
51759-60-5- Standard SMILES
O=[N+]([O-])c1ccc2nc(-c3ccccn3)[nH]c2c1- InChIKey
VRZGTMSSHMHGPC-UHFFFAOYSA-N- Molecular formula
- C12H8N4O2
- Average molar mass
- 240.22 g/mol
- Monoisotopic mass
- 240.06472551
Names & identifiers
- Preferred name
- 6-Nitro-2-(2-pyridyl)benzimidazole
- IUPAC
- 6-nitro-2-pyridin-2-yl-1H-benzimidazole
- English name
- 6-Nitro-2-(2-pyridyl)benzimidazole
- Molecular formula
- C12H8N4O2
- Molecular weight
- 240.22
Names & synonyms
6-NITRO-2-(2-PYRIDYL)BENZIMIDAZOLERefChem:544076666-875-151759-60-55-Nitro-2-(2-pyridinyl)-1H-benzimidazole6-Nitro-2-(pyridin-2-yl)-1H-benzo[d]imidazoleNSC3087885-nitro-2-(pyridin-2-yl)-1H-1,3-benzodiazole6-nitro-2-pyridin-2-yl-1H-benzimidazoleCHEMBL3809791H-Benzimidazole, 5-nitro-2-(2-pyridinyl)-5-nitro-2-(2-pyridyl)benzimidazole
Show more names
2-(2-Pyridyl)-5-nitrobenzimidazol
NSC-3087885-Nitro-2-pyridin-2-yl-1H-benzoimidazole5-nitro-2-(pyridin-2-yl)-1H-benzimidazole5-nitro-2-(pyridin-2-yl)-1H-benzo[d]imidazole1H-Benzimidazole, 6-nitro-2-(2-pyridinyl)-NSC 308788VY9H3X5NR2CBDivE_012268
Database identifiers
- CAS
51759-60-5- PubChem CID
- 100489
- DTXSID
DTXSID50966061- ChEMBL
CHEMBL380979- UNII
- VY9H3X5NR2
- EC Number
- 666-875-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
LogP2.8
Solubility5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 213 · 213-214 °C(Solv: methanol (67-56-1))
- Boiling point
- 517.3 · 517.3±48.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- pka
- 9.02 · 9.02±0.10(Predicted)
- FDA UNII
- 9 H3X5NR2 · VY9H3X5NR2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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