CAS 120484-50-6 2'-Fluoro-6'-methoxyacetophenone (HCID 2737355)

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Basic information

CAS: 120484-50-6
Standard SMILES: COc1cccc(F)c1C(C)=O
InChIKey: POHCKHGBDOTACV-UHFFFAOYSA-N
Molecular formula: C9H9FO2
Average molar mass: 168.16 g/mol
Monoisotopic mass: 168.05865769

Names & identifiers

Preferred name: 2'-Fluoro-6'-methoxyacetophenone
IUPAC: 1-(2-fluoro-6-methoxyphenyl)ethanone
English name: 2'-FLUORO-6'-METHOXYACETOPHENONE
Molecular formula: C9H9FO2
Molecular weight: 168.16

Names & synonyms

120484-50-62'-Fluoro-6'-methoxyacetophenoneDTXSID80372010RefChem:241162DTXCID40323043642-477-31-(2-fluoro-6-methoxyphenyl)ethanoneMFCD006717622-FLUORO-6-METHOXYACETOPHENONE1-(2-fluoro-6-methoxyphenyl)ethan-1-one1-(2-Fluoro-6-methoxy-phenyl)ethanoneEthanone, 1-(2-fluoro-6-methoxyphenyl)-

Show more names

2′-Fluoro-6′-methoxyacetophenone, CAS 120484-50-6

SCHEMBL1957640SCHEMBL30313283POHCKHGBDOTACV-UHFFFAOYSA-N1-acetyl-2-fluoro-6-methoxybenzeneCK2586SBB088157XH1023AKOS000221677

Database identifiers

CAS: 120484-50-6
PubChem CID: 2737355
DTXSID: DTXSID80372010
EC Number: 642-477-3

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

Boiling point: 217 ℃ · 217℃
Density: 1.127 · 1.127
refractive index: 1.508 · 1.508
Flash point: 83 ℃ · 83℃
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Clear, lemon/pale amber
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
Hazard Note: Irritant
HS Code: 2914790090 · 2914790090

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 (100%): 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 7 reports by companies from 3 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2914790090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses1-(2-Fluoro-6-methoxyphenyl)ethanone is a useful synthetic intermediate. It is used to prepare spiro[2H-1-benzopyran-2,4''-piperidine] derivatives as glycine transport inhibitors.