Basic information
- CAS
1267334-20-2- Standard SMILES
Cc1nnc(CCBr)o1- InChIKey
BKCFQLQZAXYLLQ-UHFFFAOYSA-N- Molecular formula
- C5H7BrN2O
- Average molar mass
- 191.03 g/mol
- Monoisotopic mass
- 189.97418
Names & identifiers
- Preferred name
- 2-(2-Bromoethyl)-5-methyl-1,3,4-oxadiazole
- IUPAC
- 2-(2-bromoethyl)-5-methyl-1,3,4-oxadiazole
- English name
- 2-(2-bromoethyl)-5-methyl-1,3,4-oxadiazole
- Molecular formula
- C5H7BrN2O
- Molecular weight
- 191.03
Names & synonyms
2-(2-bromoethyl)-5-methyl-1,3,4-oxadiazole1267334-20-2RefChem:453444885-750-4SCHEMBL31693627SAC33420SY122627EN300-7472081,3,4-Oxadiazole, 2-(2-bromoethyl)-5-methyl-
Database identifiers
- CAS
1267334-20-2- PubChem CID
- 82184635
- EC Number
- 885-750-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91
Physicochemical properties
- Boiling point
- 250.9 · 250.9±42.0 °C(Predicted)
- Density
- 1.579 · 1.579±0.06 g/cm3(Predicted)
- pka
- -3.61 · -3.61±0.32(Predicted)
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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