5-bromo-3,4-dihydro-2H-pyran

HCID 5325865

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Basic information

CAS: 26274-19-1
Standard SMILES: BrC1=COCCC1
InChIKey: BOKLDMFBZUFZGT-UHFFFAOYSA-N
Molecular formula: C5H7BrO
Average molar mass: 163.01 g/mol
Monoisotopic mass: 161.96803

Names & identifiers

Preferred name: 5-bromo-3,4-dihydro-2H-pyran
IUPAC: 5-bromo-3,4-dihydro-2H-pyran
English name: 5-bromo-3,4-dihydro-2H-Pyran
Molecular formula: C5H7BrO
Molecular weight: 163.01

Names & synonyms

5-bromo-3,4-dihydro-2H-pyran26274-19-1DTXSID40416060RefChem:533398DTXCID30366909970-725-32H-Pyran, 5-bromo-3,4-dihydro-3-bromo-5,6-dihydro-4H-pyranSCHEMBL3875466SCHEMBL28731638BOKLDMFBZUFZGT-UHFFFAOYSA-NBBA27419

Show more names

MFCD20483699AKOS024052319CS-47331DA-37788EN300-117838InChI=1/C5H7BrO/c6-5-2-1-3-7-4-5/h4H,1-3H

Database identifiers

CAS: 26274-19-1
PubChem CID: 5325865
DTXSID: DTXSID40416060
EC Number: 970-725-3
Nikkaji: J1.487.578F

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 88

Physicochemical properties

Boiling point: 62 · 62-63 °C(Press: 22 Torr)
Density: 1.54 g/cm3 · 1.54 g/cm3(Temp: 16 °C)
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.