Basic information
- CAS
1394791-54-8- Standard SMILES
CCc1cc(Oc2cnc(C#N)cn2)ccc1Cl- InChIKey
SZHAXDZXCAXPJB-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3O
- Average molar mass
- 259.69 g/mol
- Monoisotopic mass
- 259.0512396
Names & identifiers
- Preferred name
- 5-(4-Chloro-3-ethylphenoxy)pyrazine-2-carbonitrile
- IUPAC
- 5-(4-chloro-3-ethylphenoxy)pyrazine-2-carbonitrile
- English name
- 5-(4-chloro-3-ethylphenoxy)pyrazine-2-carbonitrile
- Molecular formula
- C13H10ClN3O
- Molecular weight
- 259.69
Names & synonyms
5-(4-chloro-3-ethylphenoxy)pyrazine-2-carbonitrile1394791-54-8UFC79154AKOS013593541EN300-111870Z12172017762-Pyrazinecarbonitrile, 5-(4-chloro-3-ethylphenoxy)-
Database identifiers
- CAS
1394791-54-8- PubChem CID
- 64272147
- EC Number
- 174-265-7
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 403.6 · 403.6±45.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -3.66 · -3.66±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P317, 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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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