Basic information
- Standard SMILES
C[C@H](O)CBr- InChIKey
WEGOLYBUWCMMMY-VKHMYHEASA-N- Molecular formula
- C3H7BrO
- Average molar mass
- 138.99 g/mol
- Monoisotopic mass
- 137.96802694
Names & identifiers
- Preferred name
- (+)-1-Bromo-2-propanol
- IUPAC
- (2S)-1-bromopropan-2-ol
Names & synonyms
(2S)-1-bromopropan-2-ol(+)-1-bromo-2-propanolRefChem:390530992-469-116088-60-1(S)-1-Bromopropan-2-ol(2S)-1-bromo-2-propanol(S)-1-BROMO-2-PROPANOL(S)-(+)-1-Bromo-2-propanol2-Propanol, 1-bromo-, (2S)-2-Propanol, 1-bromo-, (2S)- (9CI)1-Bromo-2-propanol, (S)-
Show more names
1-Bromo-2-propanol, (+)-2-Propanol, 1-bromo-, (S)-UNII-S33341KT5O2-Propanol, 1-bromo-, (S)-(+)-S33341KT5OMFCD18381950[S,(+)]-1-Bromo-2-propanol(2S)-l-bromo-2-propanol
Database identifiers
- CAS
16088-60-1- PubChem CID
- 641237
- DTXSID
DTXSID80348876- UNII
- S33341KT5O
- EC Number
- 992-469-1
- Nikkaji
- J52.766A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 22.9
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesOptical coefficient
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, 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. 3 (100%)
Related reactions
5 records
Linked notes
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