Basic information
- CAS
20972-54-7- Standard SMILES
O=c1oc2ccccc2cc1CCBr- InChIKey
KWYQUOMBGREDBP-UHFFFAOYSA-N- Molecular formula
- C11H9BrO2
- Average molar mass
- 253.09 g/mol
- Monoisotopic mass
- 251.97859
Names & identifiers
- Preferred name
- 3-(2-Bromoethyl)coumarin
- IUPAC
- 3-(2-bromoethyl)chromen-2-one
- English name
- 3-(2-Bromoethyl)coumarin
- Molecular formula
- C11H9BrO2
- Molecular weight
- 253.09
Names & synonyms
3-(2-bromoethyl)coumarinRefChem:490714622-382-320972-54-73-(2-bromoethyl)-2h-chromen-2-one3-(2-bromoethyl)chromen-2-one3-(2-bromoethyl)-2H-1-benzopyran-2-oneNSC99029SCHEMBL4390620DTXSID40943265KWYQUOMBGREDBP-UHFFFAOYSA-N3-(2-BROMOETHYL)-COUMARIN
Show more names
2H-1-Benzopyran-2-one, 3-(2-bromoethyl)-
NSC-99029AKOS024339990
Database identifiers
- CAS
20972-54-7- PubChem CID
- 264121
- DTXSID
DTXSID40943265- EC Number
- 622-382-3
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
CHEMICAL LAND21[email protected]
Service Chemical Inc.[email protected]
Related reactions
8 records
Compound notes
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