3,4-Dibromo-5-hydroxyfuran-2(5H)-one

HCID 93559
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
766-38-1
Standard SMILES
O=C1OC(O)C(Br)=C1Br
InChIKey
PKDBSOOYVOEUQR-UHFFFAOYSA-N
Molecular formula
C4H2Br2O3
Average molar mass
257.86 g/mol
Monoisotopic mass
255.83706812

Names & identifiers

Preferred name
3,4-Dibromo-5-hydroxyfuran-2(5H)-one
IUPAC
3,4-dibromo-2-hydroxy-2H-furan-5-one
English name
3,4-dibromo-5-hydroxyfuran-2(5H)-one
Molecular formula
C4H2Br2O3
Molecular weight
257.86

Names & synonyms

3,4-Dibromo-5-hydroxyfuran-2(5H)-one766-38-13,4-Dibromo-5-hydroxy-2(5H)-furanone3,4-dibromo-2-hydroxy-2H-furan-5-oneMucobromic acid lactoneMFCD067382683,4-dibromo-5-hydroxy-2,5-dihydrofuran-2-one2(5H)-Furanone, 3,4-dibromo-5-hydroxy-EINECS 212-164-2NSC 2535132(5H)-Furanone,3,4-dibromo-5-hydroxy-SCHEMBL356792
Show more names
CHEMBL1170049DTXSID701290962AAA76638BBL011028NSC253513STK802170AKOS005622687NSC-253513

Database identifiers

CAS
766-38-1
PubChem CID
93559
DTXSID
DTXSID701290962
ChEMBL
CHEMBL1170049
EC Number
212-164-2
Nikkaji
J193.138E

Properties

Computed structural properties

XLogP
1
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
77 °C · 77 °C
Boiling point
408.9 · 408.9±45.0 °C(Predicted)
Density
2.826 · 2.826±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, stored under nitrogen
pka
8.29 · 8.29±0.60(Predicted)
Appearance
White to off-white Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3,4-Dibromo-5-hydroxyfuran-2(5H)-one (cas# 766-38-1) can be used as a periodontal disease marker for disease drug screening and as an anti-cancer agent. It can also be used as an autoinducer 2 inhibitor and/or therapeutic agent for infectious diseases.

Upstream & downstream products

Suppliers16 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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