(S)-2-Bromobutane-1,4-diol
Basic information
- CAS
105601-94-3- Standard SMILES
OCC[C@H](Br)CO- InChIKey
VRVPUPONZXUMBA-BYPYZUCNSA-N- Molecular formula
- C4H9BrO2
- Average molar mass
- 169.02 g/mol
- Monoisotopic mass
- 167.97859
Names & identifiers
- Preferred name
- (S)-2-Bromobutane-1,4-diol
- IUPAC
- (2S)-2-bromobutane-1,4-diol
Names & synonyms
105601-94-3(S)-2-Bromobutane-1,4-diol1,4-Butanediol, 2-bromo-, (S)-(2S)-2-BROMOBUTANE-1,4-DIOLSCHEMBL9034782(S)-2-bromo-1,4-butanediol(S)-2-bromo -1,4-butanediolVRVPUPONZXUMBA-BYPYZUCNSA-NMFCD28403271SY471862CS-0497678
Database identifiers
- CAS
105601-94-3- PubChem CID
- 11095044
- EC Number
- 185-490-5
- Nikkaji
- J2.840.183C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 40.7
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
3 records
Compound notes
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