Basic information
- CAS
145742-63-8- Standard SMILES
O=Cc1cc([N+](=O)[O-])ccc1OC(F)F- InChIKey
YERTUMJMWKSDIU-UHFFFAOYSA-N- Molecular formula
- C8H5F2NO4
- Average molar mass
- 217.13 g/mol
- Monoisotopic mass
- 217.01866396
Names & identifiers
- Preferred name
- 2-(Difluoromethoxy)-5-nitrobenzaldehyde
- IUPAC
- 2-(difluoromethoxy)-5-nitrobenzaldehyde
- English name
- 2-(Difluoromethoxy)-5-nitrobenzaldehyde
- Molecular formula
- C8H5F2NO4
- Molecular weight
- 217.13
Names & synonyms
2-(difluoromethoxy)-5-nitrobenzaldehyde145742-63-8RefChem:460626969-569-9MFCD00521794SCHEMBL8173204VFA74263SBB016162STL339759AKOS0002732542-(difluoromethoxy)-5-nitro-benzaldehydeVS-08938
Show more names
AURORA 1500OTAVA-BB BB7110952497Benzaldehyde, 2-(difluoromethoxy)-5-nitro-
ST50206909EN300-55904G48554Z425433610
Database identifiers
- CAS
145742-63-8- PubChem CID
- 693286
- EC Number
- 969-569-9
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 43 · 43-44°C
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2913000090 · 2913000090
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
- 2913000090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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