2,3-Difluorobenzaldehyde
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Basic information
- CAS
2646-91-5- Standard SMILES
O=Cc1cccc(F)c1F- InChIKey
WDBAXYQUOZDFOJ-UHFFFAOYSA-N- Molecular formula
- C7H4F2O
- Average molar mass
- 142.1 g/mol
- Monoisotopic mass
- 142.02302107
Names & identifiers
- Preferred name
- 2,3-Difluorobenzaldehyde
- IUPAC
- 2,3-difluorobenzaldehyde
- English name
- 2,3-Difluorobenzaldehyde
- Molecular formula
- C7H4F2O
- Molecular weight
- 142.1
Names & synonyms
2,3-Difluorobenzaldehyde2646-91-5WDBAXYQUOZDFOJ-UHFFFAOYSA-DTXSID90181059RefChem:81642DTXCID50103550607-944-8InChI=1/C7H4F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4HWDBAXYQUOZDFOJ-UHFFFAOYSA-NBENZALDEHYDE, 2,3-DIFLUORO-MFCD000102922,3-difluoro-benzaldehyde
Show more names
TIMTEC-BB SBB0065722,3-Difluorobenzalde2,3-fluorobenzaldehyde2,5-DIFLUOROBENALDEHYDE2,3-Difluorobenzaldehyde>Benzaldehyde, 2,3-difluoro-2,3-Difluorobenzaldehyde 98%2,3-Difluorobenzaldehyde,98%2,3- twofluorobenzeneforMaldehyde
difluoro-benzaldehyde2,3 Difluorobenzaldehyde2,3-difluoro benzaldehydeSCHEMBL154794SCHEMBL357469SCHEMBL15067803SCHEMBL15067920SCHEMBL16395363
Database identifiers
- CAS
2646-91-5- PubChem CID
- 137664
- DTXSID
DTXSID90181059- EC Number
- 607-944-8
- Nikkaji
- J829.243D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 64 · 64-65 °C
- Boiling point
- 64 · 64-65 °C/17 mmHg (lit.)
- Density
- 1.301 g/mL · 1.301 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.499(lit.)
- Flash point
- 137 °F · 137 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- Liquid
- Specific Gravity
- 1.301 · 1.301
- color
- Clear pale yellow
- Sensitive
- Air Sensitive
- BRN
- 2961554 · 2961554
- InChI
- InChI=1S/C7H4F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
- InChIKey
- WDBAXYQUOZDFOJ-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=CC(F)=C1F
- CAS DataBase Reference
- 2646 · 2646-91-5(CAS DataBase Reference)
- UNSPSC Code
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
H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (98%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1989 3/PG 3
- hs_code
- 29130000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
Chemistry & industry
Applications
Uses2,3-Difluorobenzaldehyde was used in the synthesis of aminophosphine.
General DescriptionThe emission and absorption spectra of 2,3-difluorobenzaldehyde were studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
57 records
Compound notes
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