Basic information
- CAS
452-64-2- Standard SMILES
Cc1ccc(F)cc1C- InChIKey
WYHBENDEZDFJNU-UHFFFAOYSA-N- Molecular formula
- C8H9F
- Average molar mass
- 124.15 g/mol
- Monoisotopic mass
- 124.06882851
Names & identifiers
- Preferred name
- 4-Fluoro-o-xylene
- IUPAC
- 4-fluoro-1,2-dimethylbenzene
- English name
- 1,2-Dimethyl-4-fluorobenzene
- Molecular formula
- C8H9F
- Molecular weight
- 124.16
Names & synonyms
4-Fluoro-o-xylene452-64-24-fluoro-1,2-dimethylbenzeneDTXSID00291512RefChem:523366DTXCID10242656670-462-11,2-dimethyl-4-fluorobenzene3,4-Dimethylfluorobenzene4-Fluoro-1,2-xylene4-fluoro-1,2-dimethyl-benzeneBenzene, 4-fluoro-1,2-dimethyl-
Show more names
Fluoroxylene2Fluorooxylene4-fluoro-xylene4-Fluoroxylene,98%CBNuMber： CB57793254-Fluoro-o-xylene>4-Fluoro-o-xylene,98%
MFCD00039217o-Xylene, 4-fluoro-NSC-760821-fluoro-3,4-dimethylbenzeneNSC76082SCHEMBL12500SCHEMBL1119480SCHEMBL1686041
Database identifiers
- CAS
452-64-2- PubChem CID
- 253306
- DTXSID
DTXSID00291512- UNII
- 2YZ5B676A8
- EC Number
- 670-462-1
- Nikkaji
- J265.912C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.6
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 148 · 148-150 °C
- Density
- 1 · 1
- refractive index
- 1.4805 · 1.4805-1.4825
- Flash point
- 40 °C · 40 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- color
- clear colourless
- BRN
- 1856457 · 1856457
- InChI
- InChI=1S/C8H9F/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
- InChIKey
- WYHBENDEZDFJNU-UHFFFAOYSA-N
- SMILES
- C1(C)=CC=C(F)C=C1C
- CAS DataBase Reference
- 452 · 452-64-2(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02
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
H225 (16.7%): Highly Flammable liquid and vapor [Danger 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (16.7%)
Safety data
- ridadr
- 1993
- hs_code
- 29039990
- risk_code
- 10-37
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- F,Xi
- hazard_note
- Flammable
- safety_code
- 16
- hazard_class
- 3
- 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)
- Precautionary statements
- P261
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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