CAS 66892-34-0 6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one (HCID 2733262)

Names & identifiers

Preferred name: 6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one
IUPAC: 6-fluoro-2,3-dihydrochromen-4-one
English name: 6-Fluoro-4-chromanone
Molecular formula: C9H7FO2
Molecular weight: 166.15

Names & synonyms

66892-34-06-Fluoro-2,3-dihydro-4H-1-benzopyran-4-oneEINECS 266-511-8DTXSID00217035RefChem:543107DTXCID00139526266-511-86-fluorochroman-4-one6-Fluoro-4-chromanone6-fluoro-2,3-dihydrochromen-4-one6-fluoro-2,3-dihydro-4h-chromen-4-oneMFCD00038654

Show more names

6-FLUOROCHROMANONE4H-1-Be6-F-4-chromanoneBUTTPARK 35\07-336-FLUOROCHROMANO-4-ONE6-Fluorochroman-4-one98%6-Fluoro-4-chromanone>6-Fluorochroman-4-one 98%

6-Fluoro-chroman-4-one6-Fluoro chroman-4-one6-fluoro-3,4-dihydro-2H-1-benzopyran-4-oneMaybridge1_0072524H-1-Benzopyran-4-one, 6-fluoro-2,3-dihydro-6-Fluoro-4-chromanone, 99%FS-1028SY012025

Database identifiers

CAS: 66892-34-0
PubChem CID: 2733262
DTXSID: DTXSID00217035
EC Number: 266-511-8
Nikkaji: J120.455F

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 114 · 114-116 °C (lit.)
Boiling point: 290 °C · 290°C (rough estimate)
Density: 1.2247 · 1.2247 (estimate)
storage temp.: Store at room temperature
form: powder to crystal
color: Light yellow to Yellow to Orange
BRN: 4245390 · 4245390
InChI: 1S/C9H7FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKey: SWBBIJZMIGAZHW-UHFFFAOYSA-N
SMILES: Fc1ccc2OCCC(=O)c2c1
CAS DataBase Reference: 66892 · 66892-34-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
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
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25-37-26
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29329990 · 29329990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29329990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25-37-26
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 3 items

Uses6-Fluoro-4-chromanone may be used as internal standard:to investigate the carbonyls emission from gasoline-powered light-duty vehicles (LDVs) and heavy-duty diesel-powered vehicles by chromatography-mass spectrometry analysesin a direct analysis of carbonyls in diesel emissions by new HPLC technique with atmospheric pressure chemical ionization (APCI) MS

Uses6-Fluoro-4-chromanone was utilized in hydantoin synthesis of irreversible aldose reductase inhibitors.

General Description6-Fluoro-4-chromanone has been tested in the specific synthetic route for the preparation of organically modified xerogel.