Basic information
- CAS
80555-61-9- Standard SMILES
CC(C)=C(Br)CO- InChIKey
MGCRAWYWIQETDF-UHFFFAOYSA-N- Molecular formula
- C5H9BrO
- Average molar mass
- 165.03 g/mol
- Monoisotopic mass
- 163.98368
Names & identifiers
- Preferred name
- 2-Bromo-3-methylbut-2-en-1-ol
- IUPAC
- 2-bromo-3-methylbut-2-en-1-ol
Names & synonyms
2-Bromo-3-methylbut-2-en-1-ol80555-61-9RefChem:466334969-088-4starbld0049344SCHEMBL4705611MGCRAWYWIQETDF-UHFFFAOYSA-NFDA555612-Bromo-3-methyl-2-buten-1-ol #EN300-6482135
Database identifiers
- CAS
80555-61-9- PubChem CID
- 534876
- EC Number
- 969-088-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 82.1
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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