Basic information
- Standard SMILES
CC(C)(O)C#CBr- InChIKey
PCIPCEOKFBAUNM-UHFFFAOYSA-N- Molecular formula
- C5H7BrO
- Average molar mass
- 163.01 g/mol
- Monoisotopic mass
- 161.96802694
Names & identifiers
- Preferred name
- 3-Butyn-2-ol, 4-bromo-2-methyl-
- IUPAC
- 4-bromo-2-methylbut-3-yn-2-ol
Names & synonyms
4-Bromo-2-methyl-3-butyn-2-ol3-Butyn-2-ol, 4-bromo-2-methyl-BRN 1523732Dimethyl(beta-bromoethynyl)carbinolDimethyl-bromaethenyl-carbinolDimethyl-bromaethenyl-carbinol [German]DTXSID001746594-01-00-02232 (Beilstein Handbook Reference)RefChem:93311DTXCID60971502063-19-64-bromo-2-methylbut-3-yn-2-ol
Show more names
MFCD001607961-bromo-3-hydroxy-3-methyl-1-butyneSCHEMBL617841PCIPCEOKFBAUNM-UHFFFAOYSA-NCAA06319AKOS024339871AS-92082SY325595
Database identifiers
- CAS
2063-19-6- PubChem CID
- 200427
- DTXSID
DTXSID00174659- EC Number
- 984-176-2
- Nikkaji
- J65.782D
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 115
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Safety & regulation
GHS classification
GHS Classification
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+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
6 records
Linked notes
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