Basic information
- CAS
2836-82-0- Standard SMILES
CC(=O)Cc1ccccc1F- InChIKey
BANVZEUCJHUPOI-UHFFFAOYSA-N- Molecular formula
- C9H9FO
- Average molar mass
- 152.16 g/mol
- Monoisotopic mass
- 152.06374307
Names & identifiers
- Preferred name
- 1-(2-Fluorophenyl)acetone
- IUPAC
- 1-(2-fluorophenyl)propan-2-one
- English name
- 2-Fluorophenylacetone
- Molecular formula
- C9H9FO
- Molecular weight
- 152.17
Names & synonyms
2836-82-01-(2-Fluorophenyl)acetone1-(2-Fluorophenyl)-2-propanoneEINECS 220-627-5DTXSID10182604RefChem:422109DTXCID10105095220-627-52-fluorophenylacetone1-(2-fluorophenyl)propan-2-one(2-Fluorophenyl)acetoneo-Fluorophenylacetone
Show more names
2-Fluorophenylacetone99%2-Fluorophenylacetone 99%2-Fluorophenylacetone >(o-Fluorophenyl)-2-propanone3-(2-Fluorophenyl)-2-propanone
2-Propanone, 1-(2-fluorophenyl)-MFCD000003251-(o-Fluorophenyl)-2-propanone2-Propanone, (o-fluorophenyl)-2-Fluorophenylacetone, 98%SCHEMBL1255831-(2-Fluorophenyl)acetone #N4SU83BW94
Database identifiers
- CAS
2836-82-0- PubChem CID
- 76086
- DTXSID
DTXSID10182604- UNII
- N4SU83BW94
- EC Number
- 220-627-5
- Nikkaji
- J306.766A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 47 °C/0.05 · 47 °C/0.05 mmHg (lit.)
- Density
- 1.077 g/mL · 1.077 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4989(lit.)
- Flash point
- 185 °F · 185 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 50 mg/ml · Methyl Acetate: 50 mg/ml
- form
- Liquid
- color
- Pale yellow
- InChI
- InChI=1S/C9H9FO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3
- InChIKey
- BANVZEUCJHUPOI-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1F)C(=O)C
- CAS DataBase Reference
- 2836 · 2836-82-0(CAS DataBase Reference)
- FDA UNII
- 4 SU83BW94 · N4SU83BW94
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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 CategoriesSkin Irrit. 2 (66.7%)
Safety data
- wgk
- 3
- hs_code
- 2914.39.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F
- hazard_note
- Flammable
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Applications
Uses(2-Fluorophenyl)acetone was used in the synthesis of 6-methyluracils.
Uses2-Fluorophenylacetone is used in the synthesis of antimalarial drugs.
General Description(2-Fluorophenyl)acetone on reaction with chlorosulfonyl isocyanate yields 5-(2-fluorophenyl)-6-methyl-1,3-oxazine-2,4-(3H)-dione.
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]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Related reactions
4 records
Compound notes
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