(4-Fluorophenyl)acetone

HCID 521187
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Basic information

CAS
459-03-0
Standard SMILES
CC(=O)Cc1ccc(F)cc1
InChIKey
ZUEKIIWSVFBTCM-UHFFFAOYSA-N
Molecular formula
C9H9FO
Average molar mass
152.16 g/mol
Monoisotopic mass
152.06374307

Names & identifiers

Preferred name
(4-Fluorophenyl)acetone
IUPAC
1-(4-fluorophenyl)propan-2-one
English name
(4-Fluorophenyl)acetone
Molecular formula
C9H9FO
Molecular weight
152.17

Names & synonyms

459-03-0(4-Fluorophenyl)acetone2-Propanone, 1-(4-fluorophenyl)-EINECS 207-284-7DTXSID701966412-Propanone, 1-[4-fluorophenyl]-4FluorophenylacetoneRefChem:69479DTXCID10119132207-284-7ZUEKIIWSVFBTCM-UHFFFAOYSA-N4-Fluorophenylacetone
Show more names
cas 459-03-02-Propanone, 1-(44'-FLUOROPHENYLACETONE4-Fluorophenylacetone98%4-Fluorophenylacetone 98%4-Fluorophenylacetone,99%4-Fluorophenylacetone pmk
1-(4-fluorophenyl)propan-2-one1-(4-Fluorophenyl)acetoneMFCD000003621-(4-fluorophenyl)-2-propanone(p-fluorophenyl)acetone1-Acetonyl-4-fluorobenzene(4-fluorophenyl) acetoneSCHEMBL48545

Database identifiers

CAS
459-03-0
PubChem CID
521187
DTXSID
DTXSID70196641
EC Number
207-284-7
Nikkaji
J196.173J

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Physical DescriptionColorless or yellow liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point
106 · 106-107 °C/18 mmHg (lit.)
Density
1.139 g/mL · 1.139 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.496(lit.)
Flash point
197 °F · 197 °F
storage temp.
Sealed in dry,Room Temperature
solubility
50 mg/ml · Methyl Acetate: 50 mg/ml

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Chloroacetone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1B (50%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29147090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

DescriptionThis intermediate, also known as (4-Fluorophenyl)acetone, presents as a dark yellow liquid. It is known to be insoluble in water. For best results, store in a tightly closed container in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. 4-Fluorophenylacetone is incompatible with strong oxidizing agents. This chemical is a combustible liquid.

Uses4-Fluorophenylacetone is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields. It is a haloarylacetone derivative used in a study of reversed enantiopreference of an ω-transaminase by a single-point mutation.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

21 records
New reaction record

Compound notes

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