Basic information
- Standard SMILES
O=Cc1ccc(F)cc1F- InChIKey
WCGPCBACLBHDCI-UHFFFAOYSA-N- Molecular formula
- C7H4F2O
- Average molar mass
- 142.1 g/mol
- Monoisotopic mass
- 142.02302119
Names & identifiers
- Preferred name
- 2,4-Difluorobenzaldehyde
- IUPAC
- 2,4-difluorobenzaldehyde
- English name
- 2,4-Difluorobenzaldehyde
- Molecular formula
- C7H4F2O
- Molecular weight
- 142.1
Names & synonyms
2,4-Difluorobenzaldehyde1550-35-2Benzaldehyde, 2,4-difluoro-EINECS 216-287-2DTXSID40165788RefChem:82419DTXCID3088279216-287-2WCGPCBACLBHDCI-UHFFFAOYSA-NMFCD00010326CHEMBL40922372,4-Difluoro-benzaldehyde
Show more names
2,4-Difluorobenzalde2,4-fluorobenzaldehyde4-DifluorobenzaldehydeOf 2,4-difluorobenzaldehyde2,4-Difluorobenzaldehyde98%2,4-Difluorobenzaldehyde>2,4-DifluorobenzaldehydeQty2,4-Difluoro-1-formylbenzene
2,4difluorobenzaldehyde2,4-difluorbenzaldehyde2,4 difluorobenzaldehyde2.4-difluorobenzaldehyde4,6-Difluorobenzaldehyde2,4-difluoro benzaldehyde2, 4-DifluorobenzaldehydeDolutegravir Impurity 118
Database identifiers
- CAS
1550-35-2- PubChem CID
- 73770
- DTXSID
DTXSID40165788- ChEMBL
CHEMBL4092237- EC Number
- 216-287-2
- Nikkaji
- J206.775G
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
- Melting point
- 2 · 2-3 °C (lit.)
- Boiling point
- 65 · 65-66 °C/17 mmHg (lit.)
- Density
- 1.299 g/mL · 1.299 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.498(lit.)
- Flash point
- 131 °F · 131 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- Liquid
- Specific Gravity
- 1.299 · 1.299
- color
- Clear colorless
- Sensitive
- Air Sensitive
- BRN
- 2243422 · 2243422
- InChI
- InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
- InChIKey
- WCGPCBACLBHDCI-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(F)C=C1F
- CAS DataBase Reference
- 1550 · 1550-35-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2,4-Difluorobenzaldehyde(1550-35-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36-37/39-16-36/37
- RIDADR
- 1989 · UN 1989 3/PG 3
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
- Hazard Note
- Irritant
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29130000 · 29130000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1989 3/PG 3
- hs_code
- 29130000
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39-16-36/37
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,4-Difluorobenzaldehyde was used in the synthesis of 3-benzylidene 20,29-dihydrobetulinic acid derivatives.
General DescriptionThe emission and absorption spectra of 2,4-difluorobenzaldehyde were studied.
Upstream & downstream products
Upstream raw materials
Downstream products
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