methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate
Basic information
- CAS
42933-07-3- Standard SMILES
COC(=O)c1coc(=O)c(Br)c1- InChIKey
CGWCMWNFFICVFC-UHFFFAOYSA-N- Molecular formula
- C7H5BrO4
- Average molar mass
- 233.02 g/mol
- Monoisotopic mass
- 231.93712
Names & identifiers
- Preferred name
- methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate
- IUPAC
- methyl 5-bromo-6-oxopyran-3-carboxylate
- English name
- Methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate
- Molecular formula
- C7H5BrO4
- Molecular weight
- 233.02
Names & synonyms
methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate42933-07-3DTXSID60350492RefChem:354889DTXCID50301559857-408-4methyl 5-bromo-6-oxopyran-3-carboxylateMFCD004637422H-Pyran-5-carboxylic acid, 3-bromo-2-oxo-, methyl estermethyl 3-bromo-2-oxopyran-5-carboxylateSCHEMBL17829694METHYL3-BROMO-2-OXO-2H-PYRAN-5-CARBOXYLATE
Show more names
SBB054033STK045500AKOS005384569DS-5185ST034424SY106852DB-011596CS-0106191
Database identifiers
- CAS
42933-07-3- PubChem CID
- 680940
- DTXSID
DTXSID60350492- EC Number
- 857-408-4
- Nikkaji
- J871.235B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 285.4 · 285.4±40.0 °C(Predicted)
- Density
- 1.812 · 1.812±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2932209090 · 2932209090
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2932209090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Compound notes
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