Basic information
- CAS
34036-07-2- Standard SMILES
O=Cc1ccc(F)c(F)c1- InChIKey
JPHKMYXKNKLNDF-UHFFFAOYSA-N- Molecular formula
- C7H4F2O
- Average molar mass
- 142.1 g/mol
- Monoisotopic mass
- 142.02302119
Names & identifiers
- Preferred name
- 3,4-Difluorobenzaldehyde
- IUPAC
- 3,4-difluorobenzaldehyde
- English name
- 3,4-Difluorobenzaldehyde
- Molecular formula
- C7H4F2O
- Molecular weight
- 142.1
Names & synonyms
3,4-Difluorobenzaldehyde34036-07-2DTXSID00343186RefChem:486027DTXCID60294266422-180-3608-940-9Benzaldehyde, 3,4-difluoro-MFCD000103283,4-difluoro-benzaldehyde3,4-difluoro-benzaldehyeAKOS000120438
Show more names
3,4-Difluorobenzalde3,4-fluorobenzaldehyde3,4-Difluorbenzaldehyd3,4-DIFLOUROBENZALDEHYDE3,6-Difluoroacetophenone3, 4-2 fluoro benzaldehyde3,4-Difluorobenzaldehyde>Benzaldehyde, 3,4-difluoro-3,4-Difluorobenzaldehyde 98%
CS-W008607AC-3835D2340F2190-0603Z1044778003.4-difluorobenzaldehyde3,4-difluro-benzaldehyd3,4 difluorobenzaldehyde
Database identifiers
- CAS
34036-07-2- PubChem CID
- 588088
- DTXSID
DTXSID00343186- EC Number
- 422-180-3、608-940-9
- Nikkaji
- J713.117H
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- Boiling point
- 53 · 53-55°C (15 mmHg)
- Density
- 1.288 g/mL · 1.288 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5(lit.)
- Flash point
- 150 °F · 150 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 3.962 g/l · 3.962g/l
- form
- Liquid
- Specific Gravity
- 1.288 · 1.288
- color
- Clear colorless to yellow
- Sensitive
- Air Sensitive
- BRN
- 2241231 · 2241231
- InChI
- InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
- InChIKey
- JPHKMYXKNKLNDF-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(F)C(F)=C1
- CAS DataBase Reference
- 34036 · 34036-07-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (20%): 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 50 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H227 (33.3%): Combustible liquid [Warning Flammable liquids]
Hazard information
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9158
Hazard Classes and Categories
Flam. Liq. 4 (33.3%)
Skin Irrit. 2 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- hs_code
- 29124990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39-36/37
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H317-H319-H412
- REACH Registrations
Chemistry & industry
Applications
Uses3,4-Difluorobenzaldehyde is used in the synthesis of fluorine-substituted analogs of Curcumin (C838500), as chemopreventive and/or therapeutic agents against cancers and/or against the development of drug-resistant cancer.
Uses3,4-Difluorobenzaldehyde was used in the synthesis of 3-benzylidene 20,29-dihydrobetulinic acid derivatives.
UsesMetabolic
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
295 records
Compound notes
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