5-Chloro-3-fluoro-2-pyridinemethanamine
Basic information
- CAS
1256791-14-6- Standard SMILES
NCc1ncc(Cl)cc1F- InChIKey
VJWGDXIMZSUCJE-UHFFFAOYSA-N- Molecular formula
- C6H6ClFN2
- Average molar mass
- 160.58 g/mol
- Monoisotopic mass
- 160.0203541
Names & identifiers
- Preferred name
- 5-Chloro-3-fluoro-2-pyridinemethanamine
- IUPAC
- (5-chloro-3-fluoro-2-pyridinyl)methanamine
- English name
- 2-Pyridinemethanamine, 5-chloro-3-fluoro-
- Molecular formula
- C6H6ClFN2
- Molecular weight
- 160.58
Names & synonyms
1256791-14-65-Chloro-3-fluoro-2-pyridinemethanamineRefChem:302501(5-CHLORO-3-FLUOROPYRIDIN-2-YL)METHANAMINE1-(5-CHLORO-3-FLUOROPYRIDIN-2-YL)METHANAMINESCHEMBL6866870DTXSID301279146AB75040W156222-Pyridinemethanamine, 5-chloro-3-fluoro-
Database identifiers
- CAS
1256791-14-6- PubChem CID
- 53395623
- DTXSID
DTXSID301279146- EC Number
- 174-407-8
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 196.3 · 196.3±35.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 7.88 · 7.88±0.50(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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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