Chromone

HCID 10286

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Basic information

CAS: 491-38-3
Standard SMILES: O=c1ccoc2ccccc12
InChIKey: OTAFHZMPRISVEM-UHFFFAOYSA-N
Molecular formula: C9H6O2
Average molar mass: 146.14 g/mol
Monoisotopic mass: 146.03677943

Overview

Chromone is the simplest member of the class of chromones that is 4H-chromene with an oxo group at position 4. It is a member of chromones and an enone.

Names & identifiers

Preferred name: Chromone
IUPAC: chromen-4-one
English name: CHROMONE
Molecular formula: C9H6O2
Molecular weight: 146.14

Names & synonyms

CHROMONE4H-Chromen-4-one491-38-34-ChromoneChromen-4-oneBenzo-gamma-pyrone1,4-benzopyroneDTXSID4019768020C556MJ76CHEBI:72013RefChem:125916DTXCID00120171

Show more names

benzo-γ-pyrone2-ChromoneChroMone 99%Chromone,99%Benz-γ-pyrone

207-737-94H-1-Benzopyran-4-one1-Benzopyran-4-one4H-Benzo(b)pyran-4-oneMFCD000240644-oxo-4H-1-benzopyranBenzopyrone4-chromenone

Database identifiers

CAS: 491-38-3
PubChem CID: 10286
DTXSID: DTXSID40197680
ChEMBL: CHEMBL13311
ChEBI: CHEBI:72013
UNII: 20C556MJ76
EC Number: 207-737-9
Nikkaji: J6.056I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 196

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP1.38

Melting Point59 °C

Physical DescriptionSolid

Physicochemical properties

Melting point: 55 · 55-60 °C(lit.)
Boiling point: 239 ℃ · 239℃
Density: 1.248 · 1.248
refractive index: 1.51 · 1.5100 (estimate)
Flash point: 107 ℃ · 107℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Appearance: Light yellow to yellow Solid
InChI: 1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
InChIKey: OTAFHZMPRISVEM-UHFFFAOYSA-N
SMILES: O=C1C=COc2ccccc12
CAS DataBase Reference: 491 · 491-38-3(CAS DataBase Reference)
FDA UNII: 20 C556MJ76 · 20C556MJ76
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 36 · 36/37/39-26
WGK Germany: 3 · 3
RTECS: 7887000 · GB7887000
HS Code: 2932990090 · 2932990090
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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.