2(3H)-Furanone, 3-bromodihydro- (HCID 95463)

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 Å²
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℃)
Appearance: Colorless to light yellow Liquid
Sensitive: Moisture Sensitive/Lachrymatory
BRN: 107800 · 107800
InChI: InChI=1S/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2
InChIKey: LFJJGHGXHXXDFT-UHFFFAOYSA-N
SMILES: O1CCC(Br)C1=O
CAS DataBase Reference: 5061 · 5061-21-2(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2(3H)-Furanone, 3-bromodihydro-(5061-21-2)
EPA Substance Registry System: 2 · 2(3H)-Furanone, 3-bromodihydro- (5061-21-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 2810 · UN 2810
WGK Germany: 3 · 3
F: 21 · 21
Hazard Note: Irritant/Keep Cold/Lachrymatory/Moisture Sensitive
TSCA: TSCA listed
HS Code: 29322980 · 29322980
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

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
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a