Basic information
- Standard SMILES
O=Cc1ccc(-c2cccc(Br)c2)o1- InChIKey
NUOIWDFBKGEKJD-UHFFFAOYSA-N- Molecular formula
- C11H7BrO2
- Average molar mass
- 251.08 g/mol
- Monoisotopic mass
- 249.96294156
Names & identifiers
- Preferred name
- 5-(3-Bromophenyl)-2-furaldehyde
- IUPAC
- 5-(3-bromophenyl)furan-2-carbaldehyde
- English name
- 5-(3-bromophenyl)furan-2-carbaldehyde
- Molecular formula
- C11H7BrO2
- Molecular weight
- 251.08
Names & synonyms
39868-10-55-(3-bromophenyl)-2-furaldehydeDTXSID50357031RefChem:299651DTXCID20308090893-823-75-(3-bromophenyl)furan-2-carbaldehydeMFCD005818455-(3-Bromo-phenyl)-furan-2-carbaldehyde2-Furancarboxaldehyde,5-(3-bromophenyl)-SCHEMBL14324626NUOIWDFBKGEKJD-UHFFFAOYSA-N
Show more names
5-(3-bromophenyl)-2-Furancarboxaldehyde2-Furancarboxaldehyde, 5-(3-bromophenyl)-
BBL025759STK078773AKOS000289137SB61146UPCMLD0ENAT5416339:001SY152038VS-08084DB-069886
Database identifiers
- CAS
39868-10-5- PubChem CID
- 840517
- DTXSID
DTXSID50357031- EC Number
- 893-823-7
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): 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 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. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Related reactions
2 records
Linked notes
Loading…