4-(Difluoromethoxy)-3-ethoxybenzaldehyde

HCID 693285

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Basic information

CAS: 162401-73-2
Standard SMILES: CCOc1cc(C=O)ccc1OC(F)F
InChIKey: GYRYHZYEFPCQIZ-UHFFFAOYSA-N
Molecular formula: C10H10F2O3
Average molar mass: 216.18 g/mol
Monoisotopic mass: 216.0598005

Names & identifiers

Preferred name: 4-(Difluoromethoxy)-3-ethoxybenzaldehyde
IUPAC: 4-(difluoromethoxy)-3-ethoxybenzaldehyde
English name: Benzaldehyde, 4-(difluoromethoxy)-3-ethoxy- (9CI)
Molecular formula: C10H10F2O3
Molecular weight: 216.18

Names & synonyms

4-(difluoromethoxy)-3-ethoxybenzaldehyde162401-73-2DTXSID00351206RefChem:288831DTXCID00302273961-394-64-Difluoromethoxy-3-ethoxy-benzaldehydeBENZALDEHYDE, 4-(DIFLUOROMETHOXY)-3-ETHOXY-MFCD03412216Benzaldehyde, 4-(difluoromethoxy)-3-ethoxy- (9CI)4-(difluoromethoxy)-3-ethoxy-benzaldehydeSCHEMBL1143785

Show more names

SCHEMBL31619160YQF0953ALBB-012532SBB016161STK298785AKOS000111496LS-03922DB-273563

Database identifiers

CAS: 162401-73-2
PubChem CID: 693285
DTXSID: DTXSID00351206
EC Number: 961-394-6

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 199

Physicochemical properties

Boiling point: 285.7 · 285.7±35.0 °C(Predicted)
Density: 1.222 · 1.222±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.