3-(Difluoromethoxy)benzaldehyde

HCID 2736985CAS 85684-61-3

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1cccc(OC(F)F)c1
InChIKey: HFIUSWPRDIPIPN-UHFFFAOYSA-N
Molecular formula: C8H6F2O2
Average molar mass: 172.13 g/mol
Monoisotopic mass: 172.03358575

Names & identifiers

Preferred name: 3-(Difluoromethoxy)benzaldehyde
IUPAC: 3-(difluoromethoxy)benzaldehyde
English name: 3-(Difluoromethoxy)benzaldehyde
Molecular formula: C8H6F2O2
Molecular weight: 172.13

Names & synonyms

3-(Difluoromethoxy)benzaldehyde85684-61-3DTXSID80371745RefChem:275396DTXCID40322778640-222-0MFCD00236222Benzaldehyde, 3-(difluoromethoxy)-3-difluoromethoxybenzaldehyde3-difluoromethoxy-benzaldehydeSCHEMBL856123BBL011793

Show more names

Benzaldehyde,3-(difluoroMethoxy)-3-(Difluoromethoxy)benzaldehyde98%1-(Difluoromethoxy)-3-formylbenzene3-(Difluoromethoxy)benzaldehyde 98%

CK2107AKOS000103757PS-8669SB85440SY062608AMY2983SCHEMBL29391855SBB064711

Database identifiers

CAS: 85684-61-3
PubChem CID: 2736985
DTXSID: DTXSID80371745
EC Number: 640-222-0

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 150

Physicochemical properties

Boiling point: 80 · 80-90°C/0.3mm
Density: 1.3 · 1.300
refractive index: 20 · n20/D 1.496(lit.)
Flash point: 107 °C · 107 °C
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: liquid
color: Colourless to light yellow
Sensitive: Air Sensitive
CAS DataBase Reference: 85684 · 85684-61-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HazardClass: IRRITANT
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.