Basic information
- CAS
31659-42-4- Standard SMILES
O=[N+]([O-])c1cccc(C2=NCCN2)c1- InChIKey
YSCJJOXSVFNSPY-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947654
Names & identifiers
- Preferred name
- 4,5-dihydro-2-(3-nitrophenyl)-1H-imidazole
- IUPAC
- 2-(3-nitrophenyl)-4,5-dihydro-1H-imidazole
- English name
- 4,5-dihydro-2-(3-nitrophenyl)-1H-imidazole
- Molecular formula
- C9H9N3O2
- Molecular weight
- 191.19
Names & synonyms
31659-42-44,5-Dihydro-2-(3-nitrophenyl)-1H-imidazoleEINECS 250-754-1DTXSID30185551RefChem:507736DTXCID70108042250-754-12-(3-nitrophenyl)-4,5-dihydro-1H-imidazoleCHEMBL4571011h-imidazole, 4,5-dihydro-2-(3-nitrophenyl)-Imidocarb Impurity 22-(m-nitrophenyl)imidazoline
Show more names
ImidocarbImpurity2
7KU4739KZRSCHEMBL12643294SCHEMBL29755942YSCJJOXSVFNSPY-UHFFFAOYSA-NBDBM50266032STK367845AKOS005444754PD179858
Database identifiers
- CAS
31659-42-4- PubChem CID
- 720241
- DTXSID
DTXSID30185551- ChEMBL
CHEMBL457101- UNII
- 7KU4739KZR
- EC Number
- 250-754-1
- Nikkaji
- J278.165D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 156 · 156-157 °C
- Boiling point
- 334.7 · 334.7±44.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 9.32 · 9.32±0.40(Predicted)
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: 4,5-dihydro-2-(3-nitrophenyl)-1H-imidazole (EC: 250-754-1)
Safety data
- REACH Registrations
- Inactive
Chemistry & industry
Applications
Uses2-(3-Nitrophenyl)-4,5-dihydro-1H-imidazole is used in preparation of Imidazolide Dipropionate and intermediate.
Upstream & downstream products
Downstream products
Suppliers10 total
济南百隆化学有限公司[email protected] · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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