Pentanoic acid, 2-bromo-, (R)-
Basic information
- CAS
42990-12-5- Standard SMILES
CCC[C@@H](Br)C(=O)O- InChIKey
WMFATTFQNRPXBQ-SCSAIBSYSA-N- Molecular formula
- C5H9BrO2
- Average molar mass
- 181.03 g/mol
- Monoisotopic mass
- 179.97859
Names & identifiers
- Preferred name
- Pentanoic acid, 2-bromo-, (R)-
- IUPAC
- (2R)-2-bromopentanoic acid
- English name
- (R)-2-bromo-valeric acid
- Molecular formula
- C5H9BrO2
- Molecular weight
- 181.03
Names & synonyms
42990-12-5(2R)-2-bromopentanoic acid(r)-2-bromopentanoic acidPentanoic acid, 2-bromo-, (R)-Pentanoic acid, 2-bromo-, (2R)-SCHEMBL1732518AKOS006272470AT50805EN300-6986328
Database identifiers
- CAS
42990-12-5- PubChem CID
- 6992159
- EC Number
- 184-721-7
- Nikkaji
- J84.515I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.5
Physicochemical properties
- Boiling point
- 232.2 · 232.2±13.0 °C(Predicted)
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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