Basic information
- CAS
1314398-14-5- Standard SMILES
BrCCc1cnoc1- InChIKey
TVOAIAJFFMWTNV-UHFFFAOYSA-N- Molecular formula
- C5H6BrNO
- Average molar mass
- 176.01 g/mol
- Monoisotopic mass
- 174.96328
Names & identifiers
- Preferred name
- 4-(2-Bromoethyl)-1,2-oxazole
- IUPAC
- 4-(2-bromoethyl)-1,2-oxazole
Names & synonyms
4-(2-bromoethyl)-1,2-oxazole1314398-14-5RefChem:512262879-284-04-(2-bromoethyl)isoxazoleSCHEMBL2222031PCC39814AKOS040804785DA-12435EN300-246569
Database identifiers
- CAS
1314398-14-5- PubChem CID
- 67322326
- EC Number
- 879-284-0
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 69.4
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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