Basic information
- CAS
443-88-9- Standard SMILES
Cc1cccc(C)c1F- InChIKey
JTAUTNBVFDTYTI-UHFFFAOYSA-N- Molecular formula
- C8H9F
- Average molar mass
- 124.15 g/mol
- Monoisotopic mass
- 124.06882851
Names & identifiers
- Preferred name
- 2-Fluoro-m-xylene
- IUPAC
- 2-fluoro-1,3-dimethylbenzene
- English name
- 2,6-Dimethylfluorobenzene
- Molecular formula
- C8H9F
- Molecular weight
- 124.16
Names & synonyms
2-Fluoro-1,3-dimethylbenzene2,6-Dimethylfluorobenzene2-Fluoro-m-xyleneBenzene, 2-fluoro-1,3-dimethyl-EINECS 207-144-5DTXSID80196112RefChem:87132DTXCID90118603207-144-5JTAUTNBVFDTYTI-UHFFFAOYSA-N443-88-91-FLUORO-2,6-DIMETHYLBENZENE
Show more names
Fluoroxylene3FLUORO-M-XYLENE2-Fluoro-m-xylene>2-Fluoro-m-xylene,98%2,5-DIMETHYLFLUOROBENZENE
MFCD000392152-fluoro-1,3-dimethyl-benzene1,3-Dimethyl-2-fluorobenzene2-Fluoro-1,3-xylene2-fluoro-3-methyltolueneR6M7WLY7AMSCHEMBL130382SCHEMBL149586
Database identifiers
- CAS
443-88-9- PubChem CID
- 123065
- DTXSID
DTXSID80196112- UNII
- R6M7WLY7AM
- EC Number
- 207-144-5
- Nikkaji
- J196.132B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 147 · 147-148 °C(lit.)
- Density
- 0.988 g/mL · 0.988 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.479(lit.)
- Flash point
- 87 °F · 87 °F
- storage temp.
- 2 · 2-8°C
- form
- liquid
- color
- Clear, colourless
- Specific Gravity
- 0.988 · 0.988
- Water Solubility
- Not miscible or difficult to mix in water.
- BRN
- 1857413 · 1857413
- InChI
- InChI=1S/C8H9F/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
- InChIKey
- JTAUTNBVFDTYTI-UHFFFAOYSA-N
- SMILES
- C1(C)=CC=CC(C)=C1F
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29039990
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- F,Xn
- hazard_note
- Flammable
- safety_code
- 16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- 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
- Flam. Liq. 3
Chemistry & industry
Applications
UsesIt is used in the spectroscopic observation of jet-cooled 2-fluoro-m-xylyl radical.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
17 records
Compound notes
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