2-Bromo-5-(tert-butyl)pyrazine
Basic information
- CAS
959238-69-8- Standard SMILES
CC(C)(C)c1cnc(Br)cn1- InChIKey
OMDHMSITSVLZRA-UHFFFAOYSA-N- Molecular formula
- C8H11BrN2
- Average molar mass
- 215.09 g/mol
- Monoisotopic mass
- 214.01056
Names & identifiers
- Preferred name
- 2-Bromo-5-(tert-butyl)pyrazine
- IUPAC
- 2-bromo-5-tert-butylpyrazine
- English name
- 5-(tert-Butyl)-2-bromopyrazine
- Molecular formula
- C8H11BrN2
- Molecular weight
- 215.09
Names & synonyms
2-BROMO-5-(TERT-BUTYL)PYRAZINE959238-69-8RefChem:466740871-063-72-bromo-5-tert-butylpyrazine2-Bromo-5-tert-butyl-pyrazineSCHEMBL10220167SCHEMBL30019982JNB23869MFCD09879032AKOS015942708AB54264
Show more names
5-(tert-Butyl)-2-bromopyrazinePyrazine, 2-bromo-5-(1,1-dimethylethyl)-
CS-37909DB-164075CS-0256663EN300-650530Z1269227455
Database identifiers
- CAS
959238-69-8- PubChem CID
- 45787697
- EC Number
- 871-063-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 237.5 · 237.5±35.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- -0.28 · -0.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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