2,6-Difluorobenzoyl chloride
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Basic information
- CAS
18063-02-0- Standard SMILES
O=C(Cl)c1c(F)cccc1F- InChIKey
QRHUZEVERIHEPT-UHFFFAOYSA-N- Molecular formula
- C7H3ClF2O
- Average molar mass
- 176.55 g/mol
- Monoisotopic mass
- 175.98404884
Names & identifiers
- Preferred name
- 2,6-Difluorobenzoyl chloride
- IUPAC
- 2,6-difluorobenzoyl chloride
- English name
- 2,6-Difluorobenzoyl chloride
- Molecular formula
- C7H3ClF2O
- Molecular weight
- 176.55
Names & synonyms
2,6-Difluorobenzoyl chloride18063-02-0EINECS 241-971-2DTXSID90170988RefChem:83232DTXCID0093479241-971-2Benzoyl chloride, 3,4-difluoro-QRHUZEVERIHEPT-UHFFFAOYSA-NBenzoyl chloride, 2,6-difluoro-2,6-difluorobenzoylchlorideMFCD00000659
Show more names
FACFUROIC ACIDSKL122496.0%(T&2,6-difluoro2-CARBOXYFURANPYROMUCIC ACIDAKOS BBS-00003916ALPHA-FUROIC ACIDAKOS BBS-00003721
2,6-diflurobenzoyl chloride2,6-diflourobenzoyl chloride2,6-difluoro benzoylchloride2.6-difluorobenzoyl chloride2,6-difluro-benzoyl chlorideSCHEMBL1052552,6-difluoro benzoyl chloride2,6-difluoro-benzoyl chloride
Database identifiers
- CAS
18063-02-0- PubChem CID
- 87438
- DTXSID
DTXSID90170988- EC Number
- 241-971-2
- Nikkaji
- J260.859F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 128 · 128-132 °C(lit.)
- Boiling point
- 72 · 72-77 °C/13 mmHg (lit.)
- Density
- 1.404 g/mL · 1.404 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.501(lit.)
- Flash point
- 121 °F · 121 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.404 · 1.404
- Water Solubility
- REACTS
- Sensitive
- Moisture Sensitive
- BRN
- 639438 · 639438
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
Danger
H226 (92.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzoyl chloride, 2,6-difluoro-
Status: Active Update: 11-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24003
Benzoyl chloride, 2,6-difluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesFlam. Liq. 3 (92.2%)
Safety data
- F
- 21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- LV1763000
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29163990
- risk_code
- 36/37/38-34-10
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
Chemistry & industry
Applications
UsesPreservative, bactericide, furoates for perfume and flavoring, fumigant, textile processing, chemical intermediate.
Uses2,6-Difluorobenzoyl chloride has been used in:the preparation of series of novel 2-aryl substituted 4H-3,1-benzoxazin-4-onesregioselective synthesis of 3,6-disubstituted-2-aminoimidazo[1,2-a]pyridineFriedel-Crafts acylation reaction of toluene, anisol, thioanisol, 4-phenoxyacetophenone and N,N-diacetyl-4-phenoxyaniline
Upstream & downstream products
Downstream products
Related reactions
347 records
Compound notes
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