3-Bromo-5-phenyl-1,2,4-oxadiazole
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Basic information
- CAS
23432-94-2- Standard SMILES
Brc1noc(-c2ccccc2)n1- InChIKey
WJLDWMUZNIQXET-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O
- Average molar mass
- 225.04 g/mol
- Monoisotopic mass
- 223.95853
Names & identifiers
- Preferred name
- 3-Bromo-5-phenyl-1,2,4-oxadiazole
- IUPAC
- 3-bromo-5-phenyl-1,2,4-oxadiazole
- English name
- 3-BROMO-5-PHENYL-[1,2,4]OXADIAZOLE
- Molecular formula
- C8H5BrN2O
- Molecular weight
- 225.04
Names & synonyms
3-bromo-5-phenyl-1,2,4-oxadiazole23432-94-2DTXSID00415852RefChem:498984DTXCID70366701854-592-81,2,4-Oxadiazole, 3-bromo-5-phenyl-3-BROMO-5-PHENYL-[1,2,4]OXADIAZOLE1,2,4-Oxadiazole,3-bromo-5-phenyl-MFCD06795878SCHEMBL5673870ALBB-022330
Show more names
BBL030676AKOS015997947AS-47050FB130359SY152268CS-0449870EN300-134702F11729
Database identifiers
- CAS
23432-94-2- PubChem CID
- 5323959
- DTXSID
DTXSID00415852- EC Number
- 854-592-8
- Nikkaji
- J3.617.249E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 318.8 · 318.8±25.0 °C(Predicted)
- Density
- 1.605 · 1.605±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -5.51 · -5.51±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-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.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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