2-(1,3,2-Dioxaborinan-2-yl)benzamide
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Basic information
- CAS
2377611-18-0- Standard SMILES
NC(=O)c1ccccc1B1OCCCO1- InChIKey
XMXZCXTYFXMVBO-UHFFFAOYSA-N- Molecular formula
- C10H12BNO3
- Average molar mass
- 205.02 g/mol
- Monoisotopic mass
- 205.0910234
Names & identifiers
- Preferred name
- 2-(1,3,2-Dioxaborinan-2-yl)benzamide
- IUPAC
- 2-(1,3,2-dioxaborinan-2-yl)benzamide
- English name
- 2-(1,3,2-Dioxaborinan-2-yl)benzamide
- Molecular formula
- C10H12BNO3
- Molecular weight
- 205.02
Names & synonyms
2-(1,3,2-Dioxaborinan-2-yl)benzamide2377611-18-0MFCD20231486Perampanel Impurity 16Perampanel Impurity N1Perampanel impurity752SB78361BS-33567Benzamide, 2-(1,3,2-dioxaborinan-2-yl)-CS-0177577F88301F692051
Show more names
Perampanel Impurity 36
Database identifiers
- CAS
2377611-18-0- PubChem CID
- 56776931
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 404.2 · 404.2±28.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 16.09 · 16.09±0.50(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
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Compound notes
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