1-(5-Bromopyridin-2-YL)cyclopropanecarboxylic acid
Basic information
- CAS
827628-42-2- Standard SMILES
O=C(O)C1(c2ccc(Br)cn2)CC1- InChIKey
CJGBXRYQRKFSBK-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO2
- Average molar mass
- 242.07 g/mol
- Monoisotopic mass
- 240.97384
Names & identifiers
- Preferred name
- 1-(5-Bromopyridin-2-YL)cyclopropanecarboxylic acid
- IUPAC
- 1-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid
- English name
- 1-(5-broMopyridin-2-yl)cyclopropanecarboxylic acid
- Molecular formula
- C9H8BrNO2
- Molecular weight
- 242.07
Names & synonyms
827628-42-21-(5-BROMOPYRIDIN-2-YL)CYCLOPROPANECARBOXYLIC ACID1-(5-BROMOPYRIDIN-2-YL)CYCLOPROPANE-1-CARBOXYLIC ACIDMFCD13190047Cyclopropanecarboxylic acid, 1-(5-bromo-2-pyridinyl)-1-(5-bromo-2-pyridyl)cyclopropanecarboxylic acid1-(5-bromo-2-pyridinyl)Cyclopropanecarboxylic acidSCHEMBL5526276DTXSID40740630CJGBXRYQRKFSBK-UHFFFAOYSA-NCIB62842AKOS027255045
Show more names
1-(5-Bromopyridin-2-yl)cyclopropane-1-carboxylic acid - [B93516]
AB69649AS-41680DA-02555SY258520CS-0238174EN300-1910508F331669A1-05038
Database identifiers
- CAS
827628-42-2- PubChem CID
- 69476153
- DTXSID
DTXSID40740630
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 370.1 · 370.1±37.0 °C(Predicted)
- Density
- 1.76 · 1.760±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3 · 3.00±0.20(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
Suppliers
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Related reactions
6 records
Compound notes
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