2(3H)-Furanone, 3-bromodihydro-
Basic information
- CAS
5061-21-2- Standard SMILES
O=C1OCCC1Br- InChIKey
LFJJGHGXHXXDFT-UHFFFAOYSA-N- Molecular formula
- C4H5BrO2
- Average molar mass
- 164.99 g/mol
- Monoisotopic mass
- 163.94729
Names & identifiers
- Preferred name
- 2(3H)-Furanone, 3-bromodihydro-
- IUPAC
- 3-bromooxolan-2-one
- English name
- 2-Bromo-4-butanolide
- Molecular formula
- C4H5BrO2
- Molecular weight
- 164.99
Names & synonyms
2-Bromo-4-butanolidealpha-Bromo-gamma-butyrolactone2-Bromobutyrolactone2(3H)-Furanone, 3-bromodihydro-3-Bromo-2-furanoneNSC 11726NSC 569592-Bromo-4-butyrolactoneEINECS 225-764-4alpha-Bromobutyric acid, gamma-lactoneDTXSID208841272Bromo4butanolide
Show more names
3-Bromodihydrofuran-2(3H)-oneα-Bromo-γ-butyrolactone3-Bromotetrahydrofuran-2-oneα-Bromo-γ-butyrolactone3-Bromdihydrofuran-2(3H)-onAKOS 23à-bromo-
2BromobutyrolactoneRefChem:4398652(3H)Furanone, 3bromodihydroDTXCID001023596alphaBromobutyric acid, gammalactone225-764-45061-21-23-bromooxolan-2-one
Database identifiers
- CAS
5061-21-2- PubChem CID
- 95463
- DTXSID
DTXSID20884127- EC Number
- 225-764-4
- Nikkaji
- J133.201E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 91.7
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Lactones
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 138 °C/6 · 138 °C/6 mmHg (lit.)
- Density
- 1.786 g/mL · 1.786 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.508(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Acetone, Chloroform, Ethyl Acetate, Methanol
- form
- Clear Colourless to Light Yellow Liquid
- Specific Gravity
- 1.778 · 1.778 (20/4℃)
- color
- Yellow
- Appearance
- Colorless to light yellow Liquid
- Sensitive
- Moisture Sensitive/Lachrymatory
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 (97.9%): 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)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Butyrolactone.
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)
Safety data
- F
- 21
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810
- hs_code
- 29322980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold/Lachrymatory/Moisture Sensitive
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(3H)-Furanone, 3-bromodihydro-: INACTIVE
Applications
UsesLactams inhibit type Q arylesterase activity of human serum paraoxonase PON1.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
111 records
Compound notes
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