CAS 90843-31-5 1-(2,3-Dihydro-5-benzofuranyl)ethanone (HCID 145220)

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Basic information

CAS: 90843-31-5
Standard SMILES: CC(=O)c1ccc2c(c1)CCO2
InChIKey: MMVUJVASBDVNGJ-UHFFFAOYSA-N
Molecular formula: C10H10O2
Average molar mass: 162.18 g/mol
Monoisotopic mass: 162.06807956

Names & identifiers

Preferred name: 1-(2,3-Dihydro-5-benzofuranyl)ethanone
IUPAC: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
English name: 5-Acetyl-2,3-dihydrobenzo(b)furan
Molecular formula: C10H10O2
Molecular weight: 162.19

Names & synonyms

90843-31-51-(2,3-Dihydro-5-benzofuranyl)ethanoneDTXSID80238304RefChem:222786DTXCID601607955-acetyl-2,3-dihydrobenzo[b]furan5-Acetyl-2,3-dihydrobenzofuran1-(2,3-dihydro-1-benzofuran-5-yl)ethanone5-Acetyl-2,3-Dihydrobenzo(B)Furan1-(2,3-dihydrobenzofuran-5-yl)ethanoneMFCD000680335-acetyl-2,3-dihydro-1-benzofuran

Show more names

5-acetylcoumaranCompound Fr13980BUTTPARK 92\04-30Tolafentrine Impurity 175-Acetyl-2,3-dihydrobenzobüfuran, 97%5-Acetyl-2,3-dihydrobenzo(b)furan,97%

Maybridge1_0048021-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-oneHMS555C065-Acetyl-2, 3-dihydrobenzofuran5-acetyl-2,3-dihydroben-zofuranGEO-000301-(2,3-dihydro-5-benzofuranyl)-ethanoneZ212063108

Database identifiers

CAS: 90843-31-5
PubChem CID: 145220
DTXSID: DTXSID80238304
EC Number: 674-950-5
Nikkaji: J1.908.555D

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Physicochemical properties

Melting point: 56 · 56-59°C
Boiling point: 120 · 120-121°C 15mm
Density: 1.149 · 1.149±0.06 g/cm3(Predicted)
Flash point: 120 · 120-121°C/15mm
storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
BRN: 131198 · 131198
CAS DataBase Reference: 90843 · 90843-31-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-51
Safety Statements: 24 · 24/25
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)

Safety data

hs_code: 29349990
risk_code: 22-51
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses1-(2,3-Dihydro-5-benzofuranyl)ethanone is used to prepare tricyclic [1,2,4]triazine 1,4-dioxides as hypoxia selective cytotoxins. It is also used to synthesize N-(1-benzo[1,3]dioxol-5-yl)ethyl-, N-[1-(2,3-dihydro-benzofuran-5-yl)ethyl-, and N-[1-(2,3-dihydro-1H-indol-5-yl)ethylacrylamides with KCNQ2 opener activities.