2-(Difluoromethoxy)-5-nitropyridine
Basic information
- CAS
1192813-41-4- Standard SMILES
O=[N+]([O-])c1ccc(OC(F)F)nc1- InChIKey
WLHADOSXRICWAB-UHFFFAOYSA-N- Molecular formula
- C6H4F2N2O3
- Average molar mass
- 190.1 g/mol
Names & identifiers
- Preferred name
- 2-(Difluoromethoxy)-5-nitropyridine
- IUPAC
- 2-(difluoromethoxy)-5-nitropyridine
- English name
- 2-(difluoromethoxy)-5-nitropyridine
- Molecular formula
- C6H4F2N2O3
- Molecular weight
- 190.1
Names & synonyms
2-(DIFLUOROMETHOXY)-5-NITROPYRIDINE1192813-41-4RefChem:460627828-906-9MFCD11847317Pyridine, 2-(difluoromethoxy)-5-nitro-2-difluoromethoxy-5-nitro-pyridineSCHEMBL558792SCHEMBL68449982-Difluoromethoxy-5-nitropyridineSCHEMBL29974305WLZ3920
Show more names
SXB813412-(difluoromethoxy)-5-nitro-pyridineAKOS025146742DS-8818CS-0042625EN300-202702F464718
Database identifiers
- CAS
1192813-41-4- PubChem CID
- 53403752
- EC Number
- 828-906-9
- Nikkaji
- J3.761.747D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 252.4 · 252.4±35.0 °C(Predicted)
- Density
- 1.464 · 1.464±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -2.8 · -2.80±0.29(Predicted)
- form
- crystalline powder
- color
- Light gold
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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)
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
17 records
Compound notes
Loading…