2-(5-Nitro-1H-imidazol-1-yl)ethanol
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Basic information
- CAS
5006-68-8- Standard SMILES
O=[N+]([O-])c1cncn1CCO- InChIKey
DFMZECOLZRIPOT-UHFFFAOYSA-N- Molecular formula
- C5H7N3O3
- Average molar mass
- 157.13 g/mol
- Monoisotopic mass
- 157.04874109
Names & identifiers
- Preferred name
- 2-(5-Nitro-1H-imidazol-1-yl)ethanol
- IUPAC
- 2-(5-nitroimidazol-1-yl)ethanol
- English name
- 5-Nitro-1H-iMidazole-1-ethanol
- Molecular formula
- C5H7N3O3
- Molecular weight
- 157.13
Names & synonyms
5006-68-82-(5-Nitro-1H-imidazol-1-yl)ethanol1H-Imidazole-1-ethanol, 5-nitro-1-(2-Hydroxyethyl)-5-nitroimidazoleImidazole-1-ethanol, 5-nitro-Metronidazole impurity D [USP-MC]M69F775144DTXSID303906232-(5-nitro-1-imidazolyl)-1-ethanolMetronidazole impurity D (USP-MC)RefChem:458972DTXCID40341484
Show more names
Metronidazole EP impurityMetronidazole impurity D (EP)Metronidazole benzoate EP impurity 1
641-573-25-Nitro-1H-imidazole-1-ethanol2-(5-nitroimidazol-1-yl)ethanolMetronidazole Impurity DMETRONIDAZOLE EP IMPURITY DMFCD001596702-(5-nitro-1H-imidazol-1-yl)ethan-1-olUNII-M69F775144
Database identifiers
- CAS
5006-68-8- PubChem CID
- 3248693
- DTXSID
DTXSID30390623- UNII
- M69F775144
- EC Number
- 641-573-2
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 118 °C · 118 °C
- Boiling point
- 425.2 · 425.2±25.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly, Heated), DMSO (Slightly), Ethyl Acetate (Slightly), Methane
- form
- Solid
- pka
- 14.43 · 14.43±0.10(Predicted)
- color
- White to Pale Yellow
- FDA UNII
- 69 F775144 · M69F775144
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- 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 41 reports by companies from 2 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
Applications
Uses5-Nitro-1H-imidazole-1-ethanol (cas# 5006-68-8) is a compound useful in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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