3-Bromo-5-cyclopropyl-1,2,4-oxadiazole
Basic information
- CAS
121562-08-1- Standard SMILES
Brc1noc(C2CC2)n1- InChIKey
SKWIAZWIYKVAIP-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2O
- Average molar mass
- 189.01 g/mol
- Monoisotopic mass
- 187.95853
Names & identifiers
- Preferred name
- 3-Bromo-5-cyclopropyl-1,2,4-oxadiazole
- IUPAC
- 3-bromo-5-cyclopropyl-1,2,4-oxadiazole
- English name
- 3-Bromo-5-cyclopropyl-1,2,4-oxadiazole
- Molecular formula
- C5H5BrN2O
- Molecular weight
- 189.01
Names & synonyms
3-bromo-5-cyclopropyl-1,2,4-oxadiazole121562-08-1DTXSID301282353RefChem:498884DTXCID701712784852-217-21,2,4-oxadiazole, 3-bromo-5-cyclopropyl-MFCD12827917SCHEMBL30204987ALBB-026655AKOS015917656BS-14550
Show more names
3-bromo-5-cyclopropyl-1,2,4-oxadiazole - [B81751]3-bromo-5-cyclopropyl-1,2,4-oxadiazole(SALTDATA: FREE)
SY420826DB-002501CS-0155393EN300-178808F312466InChI=1/C5H5BrN2O/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H
Database identifiers
- CAS
121562-08-1- PubChem CID
- 5323966
- DTXSID
DTXSID301282353- EC Number
- 852-217-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 263 · 263.0±23.0 °C(Predicted)
- Density
- 1.837 · 1.837±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- -4.06 · -4.06±0.32(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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