2-(2-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
Basic information
- CAS
733044-96-7- Standard SMILES
ClCc1nnc(-c2ccccc2Br)o1- InChIKey
KIMSKBWHIMTWFJ-UHFFFAOYSA-N- Molecular formula
- C9H6BrClN2O
- Average molar mass
- 273.51 g/mol
- Monoisotopic mass
- 271.9352
Names & identifiers
- Preferred name
- 2-(2-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
- IUPAC
- 2-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
- English name
- 2-(2-Bromo-phenyl)-5-chloromethyl-[1,3,4]oxadiazole
- Molecular formula
- C9H6BrClN2O
- Molecular weight
- 273.51
Names & synonyms
2-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole733044-96-72-(2-Bromo-phenyl)-5-chloromethyl-[1,3,4]oxadiazoleMFCD03981004SCHEMBL27918922DTXSID701225258IEB04496STL221573AKOS000118715RS-0370SY136957CS-0455275
Show more names
1,3,4-Oxadiazole, 2-(2-bromophenyl)-5-(chloromethyl)-
EN300-05104G74888F488502
Database identifiers
- CAS
733044-96-7- PubChem CID
- 2363738
- DTXSID
DTXSID701225258
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 372.6 · 372.6±52.0 °C(Predicted)
- Density
- 1.629 · 1.629±0.06 g/cm3(Predicted)
- pka
- -6.33 · -6.33±0.44(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P304+P340-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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