2-Fluoropyrimidin-4-amine
Basic information
- CAS
96548-91-3- Standard SMILES
Nc1ccnc(F)n1- InChIKey
SPWJNWKKNZWCPA-UHFFFAOYSA-N- Molecular formula
- C4H4FN3
- Average molar mass
- 113.09 g/mol
- Monoisotopic mass
- 113.0389253
Names & identifiers
- Preferred name
- 2-Fluoropyrimidin-4-amine
- IUPAC
- 2-fluoropyrimidin-4-amine
- English name
- 4-Pyrimidinamine, 2-fluoro- (9CI)
- Molecular formula
- C4H4FN3
- Molecular weight
- 113.09
Names & synonyms
2-fluoropyrimidin-4-amine96548-91-3DTXSID60320877RefChem:261132DTXCID80271998960-491-0MFCD007693804-amino-2-fluoropyrimidineaminofluoropyrimidineNSC3660532-fluoro-pyrimidin-4-amine2-fluoropyrimidine-4-ylamine
Show more names
2-FLUORO-4-PYRIMIDINEAMINE4-Pyrimidinamine, 2-fluoro-4-Pyrimidinamine, 2-fluoro- (9CI)
2-Fluoro-4-pyrimidinamine #SCHEMBL218133Pyrimidine, 2-fluoro-4-amino-WDA54891STK396232AKOS000546136NSC-366053SB57804
Database identifiers
- CAS
96548-91-3- PubChem CID
- 339392
- DTXSID
DTXSID60320877- EC Number
- 960-491-0
- Nikkaji
- J526.184H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.7
Physicochemical properties
- Boiling point
- 324.9 · 324.9±34.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 2.58 · 2.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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