2-(Difluoromethoxy)benzaldehyde
Basic information
- CAS
66988-93-0- Standard SMILES
O=Cc1ccccc1OC(F)F- InChIKey
QPBNHDFPMRENBC-UHFFFAOYSA-N- Molecular formula
- C8H6F2O2
- Average molar mass
- 172.13 g/mol
- Monoisotopic mass
- 172.03358587
Names & identifiers
- Preferred name
- 2-(Difluoromethoxy)benzaldehyde
- IUPAC
- 2-(difluoromethoxy)benzaldehyde
- English name
- (difluoromethoxy)benzaldehyde
- Molecular formula
- C8H6F2O2
- Molecular weight
- 172.1288464
Names & synonyms
2-(Difluoromethoxy)benzaldehyde71653-64-0DTXSID10985793RefChem:84674DTXCID101412984670-876-22-difluoromethoxybenzaldehyde66988-93-0MFCD00042251Benzaldehyde, 2-(difluoromethoxy)-2-Difluoromethoxy-benzaldehyde2-DIFLOROMETHOXYBENZALDEHYDE
Show more names
CL8276AKOS000296878SB73974AS-11101EN300-01067Z55671896(Difluoromethoxy)benzaldehydeo-difluoromethoxybenzaldehyde
Database identifiers
- CAS
66988-93-0、71653-64-0- PubChem CID
- 2736984
- DTXSID
DTXSID10985793- EC Number
- 266-534-3、670-876-2
- Nikkaji
- J1.501.582I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
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 (12.5%): 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)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)
Suppliers
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Related reactions
16 records
Compound notes
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