Basic information
- CAS
53856-93-2- Standard SMILES
COC(=O)CCC(=O)CBr- InChIKey
AUQDWNOSVDUIAT-UHFFFAOYSA-N- Molecular formula
- C6H9BrO3
- Average molar mass
- 209.04 g/mol
- Monoisotopic mass
- 207.97350625
Names & identifiers
- Preferred name
- Methyl 5-bromo-4-oxopentanoate
- IUPAC
- methyl 5-bromo-4-oxopentanoate
- English name
- MFCD18800850
- Molecular formula
- C6H9BrO3
- Molecular weight
- 209.04
Names & synonyms
methyl 5-bromo-4-oxopentanoateRefChem:816970695-983-153856-93-2MFCD18800850methyl 5-bromolevulinateMethyl 5-bromo-4-oxo-pentanoatePentanoic acid, 5-bromo-4-oxo-, methyl ester5-bromo-4-oxopentanoic acid methyl ester5-bromolevulinic acid methyl ester5-bromo-4-oxo-pentanoic acid methyl ester5-bromolevulinic methyl ester
Show more names
5-bromo-4-keto-valeric acid methyl ester
methyl5-bromo-4-oxopentanoateorb3176409SCHEMBL1160631DTXSID10431841AUQDWNOSVDUIAT-UHFFFAOYSA-NALBB-027729AKOS0052644255-bromo-4-oxo-valeric acid methylester
Database identifiers
- CAS
53856-93-2- PubChem CID
- 9855825
- DTXSID
DTXSID10431841- EC Number
- 695-983-1
- Nikkaji
- J522.625B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 125 · 125-128 °C(Press: 9 Torr)
- Density
- 1.478 · 1.478±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Solid-Liquid Mixture
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H313-H315-H319-H333-H335
- Precautionary statements
- 210 · P210-P260-P264-P270-P271-P273-P284-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P314-P320-P403+P233-P405-P501
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H303 (50%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P317, P302+P352, P304+P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H313-H315-H319-H333-H335
- REACH Registrations
- Active
- Precautionary statements
- P210-P260-P264-P270-P271-P273-P284-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P314-P320-P403+P233-P405-P501
Chemistry & industry
Applications
UsesMethyl 5-Bromolevulinate is a useful reagent in synthesis of (acetyl)hydroxyfurans and furanalkanoates.
UsesMethyl 5-Bromolevulinate is a useful reagent in synthesis of (acetyl)hydroxyfurans and furanalkanoates.
Upstream & downstream products
Downstream products
Suppliers41 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
20 records
Compound notes
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