2-(Bromodifluoromethyl)-1,3-benzoxazole
Basic information
- CAS
186828-50-2- Standard SMILES
FC(F)(Br)c1nc2ccccc2o1- InChIKey
QJYISAVBXVIYNO-UHFFFAOYSA-N- Molecular formula
- C8H4BrF2NO
- Average molar mass
- 248.02 g/mol
- Monoisotopic mass
- 246.94443
Names & identifiers
- Preferred name
- 2-(Bromodifluoromethyl)-1,3-benzoxazole
- IUPAC
- 2-[bromo(difluoro)methyl]-1,3-benzoxazole
- English name
- 2-(Bromodifluoromethyl)-1,3-benzoxazole
- Molecular formula
- C8H4BrF2NO
- Molecular weight
- 248.02
Names & synonyms
2-(Bromodifluoromethyl)-1,3-benzoxazole186828-50-2DTXSID90443467RefChem:253299DTXCID903942882-(Bromodifluoromethyl)benzo[d]oxazole2-(bromodifluoromethyl)benzoxazole2-[bromo(difluoro)methyl]-1,3-benzoxazoleMFCD11035866bromodifluoromethyl benzoxazoleSCHEMBL21488100QJYISAVBXVIYNO-UHFFFAOYSA-N
Show more names
Benzoxazole, 2-(bromodifluoromethyl)-
SBB100347AKOS025310292PS-65302-[Bromodi(fluoro)methyl]-1,3-benzoxazoleDB-364171E89163
Database identifiers
- CAS
186828-50-2- PubChem CID
- 10681971
- DTXSID
DTXSID90443467- Nikkaji
- J999.659A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 200.1 · 200.1±40.0 °C(Predicted)
- Density
- 1.761 · 1.761±0.06 g/cm3(Predicted)
- pka
- 0.1 · 0.10±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- 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
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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