3'-Chloro-4'-fluoroacetophenone

HCID 520422CAS 2923-66-2

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Basic information

Standard SMILES: CC(=O)c1ccc(F)c(Cl)c1
InChIKey: PCJPESKRPOTNGU-UHFFFAOYSA-N
Molecular formula: C8H6ClFO
Average molar mass: 172.58 g/mol
Monoisotopic mass: 172.0091207

Names & identifiers

Preferred name: 3'-Chloro-4'-fluoroacetophenone
IUPAC: 1-(3-chloro-4-fluorophenyl)ethanone
English name: 3-Chloro-4-fluoroacetophenone
Molecular formula: C8H6ClFO
Molecular weight: 172.58

Names & synonyms

3'-Chloro-4'-fluoroacetophenone2923-66-21-(3-Chloro-4-fluorophenyl)ethanoneDTXSID70334344RefChem:484649DTXCID80285434608-330-23-Chloro-4-fluoroacetophenone1-(3-Chloro-4-fluorophenyl)ethan-1-oneEthanone, 1-(3-chloro-4-fluorophenyl)-MFCD000422031-acetyl-3-chloro-4-fluorobenzene

Show more names

3'-Chloro-4'-fluoroacetophenone97%3'-Chloro-4'-fluoroacetophenone 97%3'-Chloro-4'-fluoroacetophenone ,98%1-(3-chloro-4-fluorophenyl)acetic acid3′-Chloro-4′-fluoroacetophenone, CAS 2923-66-2

1-(3-chloro-4-fluoro-phenyl)ethanone1-(3-Chloro-4-fluoro-phenyl)-ethanoneSCHEMBL75563orb30315934'-fluoro-3'-chloroacetophenoneFr12177CL8654SBB063231

Database identifiers

CAS: 2923-66-2
PubChem CID: 520422
DTXSID: DTXSID70334344
EC Number: 608-330-2

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 42 °C · 42 °C
Boiling point: 126 °C · 126 °C
Density: 1.258 · 1.258±0.06 g/cm3(Predicted)
Flash point: 126 · 126-127°C/15mm
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: White to Light yellow to Dark green
BRN: 3117772 · 3117772
CAS DataBase Reference: 2923 · 2923-66-2(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3-Chloro-4-fluoroacetophenone(2923-66-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-37/39
HazardClass: IRRITANT
HS Code: 29143990 · 29143990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 9 reports by companies from 5 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.