Basic information
- CAS
939-18-4- Standard SMILES
O=c1oc2ccccc2cc1Br- InChIKey
DZCTYFCCOGXULA-UHFFFAOYSA-N- Molecular formula
- C9H5BrO2
- Average molar mass
- 225.04 g/mol
- Monoisotopic mass
- 223.94729
Names & identifiers
- Preferred name
- 3-Bromo-2-chromenone
- IUPAC
- 3-bromochromen-2-one
- English name
- 2H-1-Benzopyran-2-one, 3-bromo-
- Molecular formula
- C9H5BrO2
- Molecular weight
- 225.04
Names & synonyms
3-bromo-2H-chromen-2-one939-18-43-Bromo-2-chromenone3-bromochromen-2-one2H-1-Benzopyran-2-one, 3-bromo-MFCD004635303-bromo-chromen-2-one3-bromocoumarin3-Bromo-2H-1-benzopyran-2-one; 3-Bromo-coumarin; 3-Bromocoumarin3-Bromo-2H-1-benzopyran-2-oneSCHEMBL1091047SCHEMBL1091548
Show more names
SCHEMBL2016273DTXSID60359561STK522220AKOS003269281AS-37152SY078443DB-203394CS-0156001
Database identifiers
- CAS
939-18-4- PubChem CID
- 970704
- DTXSID
DTXSID60359561- Nikkaji
- J824.956C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 250 °C · 250 °C
- Boiling point
- 344.3 · 344.3±30.0 °C(Predicted)
- Density
- 1.738 · 1.738±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), DMSO (Slightly)
- form
- Solid
- color
- Off-White to Pale Yellow
- Stability
- Light Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses3-Bromo-2H-chromen-2-one is a derivative of Coumarin (C755380) and can be used to sensitize the inactivation of viruses.
Upstream & downstream products
Downstream products
Suppliers31 total
宁波振岳医药科技有限公司19817745290 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…