3-(Difluoromethoxy)benzaldehyde
Basic information
- CAS
85684-61-3- 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 Ų
- 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
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2913000090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
9 records
Compound notes
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