Basic information
- Standard SMILES
O=Cc1cc(F)ccc1F- InChIKey
VVVOJODFBWBNBI-UHFFFAOYSA-N- Molecular formula
- C7H4F2O
- Average molar mass
- 142.1 g/mol
- Monoisotopic mass
- 142.02302119
Names & identifiers
- Preferred name
- 2,5-Difluorobenzaldehyde
- IUPAC
- 2,5-difluorobenzaldehyde
- English name
- 2,5-Difluorobenzaldehyde
- Molecular formula
- C7H4F2O
- Molecular weight
- 142.1
Names & synonyms
2,5-Difluorobenzaldehyde2646-90-4VVVOJODFBWBNBI-UHFFFAOYSA-DTXSID30181058RefChem:82843DTXCID40103549629-300-5InChI=1/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4HVVVOJODFBWBNBI-UHFFFAOYSA-NBenzaldehyde, 2,5-difluoro-MFCD000103272,5-difluoro-benzaldehyde
Show more names
TIMTEC-BB SBB0065702,5-DifluorobenzaldeDifluorobenzaldehyde2,5-fluorobenzaldehyde2-CHLORO-4-ETHOXYANILINE2,9-Difluoroacetophenone2,5-Diffuorobenzaldehyde2,5-Difluoro Benzaldehydes2,5-Difluorobenzaldehyde>
2,5 difluorobenzaldehyde2,5-difluoro benzaldehydeSCHEMBL65723SCHEMBL95486SCHEMBL15066422SCHEMBL15067625SCHEMBL150680812,5-Difluorobenzaldehyde, 98%
Database identifiers
- CAS
2646-90-4- PubChem CID
- 137663
- DTXSID
DTXSID30181058- EC Number
- 629-300-5
- Nikkaji
- J1.631.180D
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
- 67 · 67-69 °C
- Boiling point
- 67 · 67-69 °C/17 mmHg (lit.)
- Density
- 1.308 g/mL · 1.308 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.498(lit.)
- Flash point
- 138 °F · 138 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Liquid
- Specific Gravity
- 1.308 · 1.308
- color
- Clear colorless to yellow
- Sensitive
- Air Sensitive
- BRN
- 2573664 · 2573664
- InChI
- InChI=1S/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
- InChIKey
- VVVOJODFBWBNBI-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC(F)=CC=C1F
- CAS DataBase Reference
- 2646 · 2646-90-4(CAS DataBase Reference)
- 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, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39-36/37
- RIDADR
- 1989 · UN 1989 3/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 3.2 · 3.2
- 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 (98%): 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 (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
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39-36/37
- hazard_class
- 3.2
- 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
Uses2,5-Difluorobenzaldehyde was used in the synthesis of fluorinated analog by Henry condensation with nitroethane.
General DescriptionThe emission and absorption spectra of 2,5-difluorobenzaldehyde were studied.
Upstream & downstream products
Upstream raw materials
Downstream products
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