Ethanone, 1-(7-methoxy-2-benzofuranyl)-

HCID 39378
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Basic information

CAS
43071-52-9
Standard SMILES
COc1cccc2cc(C(C)=O)oc12
InChIKey
MUUMFANQVPWPFY-UHFFFAOYSA-N
Molecular formula
C11H10O3
Average molar mass
190.19 g/mol
Monoisotopic mass
190.06299418

Names & identifiers

Preferred name
Ethanone, 1-(7-methoxy-2-benzofuranyl)-
IUPAC
1-(7-methoxy-1-benzofuran-2-yl)ethanone
English name
2-ACETYL-7-METHOXYBENZOFURAN
Molecular formula
C11H10O3
Molecular weight
190.2

Names & synonyms

43071-52-9Ethanone, 1-(7-methoxy-2-benzofuranyl)-1-(7-Methoxy-2-benzofuranyl)ethanone1-(7-methoxy-1-benzofuran-2-yl)ethan-1-one7-Methoxy-2-benzofuranyl methyl ketoneBRN 0156263KETONE, 7-METHOXY-2-BENZOFURANYL METHYLDTXSID701956744-18-00-00361 (Beilstein Handbook Reference)RefChem:592514DTXCID10118165Ethanone, 1-(7-methoxy-2-benzofuranyl)-(9CI)
Show more names
2-ACETYL-7-METHOXYCOUMARONE7-Methoxy-2-acetylbenzofuran2-Acetyl-7-methoxybenzofuran>2-Acetyl-7-methoxybenzofuran,98%2-Acetyl-7-methoxybenzofuran,97%1-(7-methoxy-2-benzofuranyl)-ethanon7-methoxy-2-benzofuranylmethylketone
670-499-32-Acetyl-7-methoxybenzofuran1-(7-methoxybenzofuran-2-yl)ethanone1-(7-Methoxy-1-benzofuran-2-yl)ethanone1-(7-Methoxybenzofuran-2-yl)ethan-1-one2-acetyl-7-methoxybenzo[b]furanMFCD000169111-(7-Methoxy-1-benzofuran-2-yl)-1-ethanone

Database identifiers

CAS
43071-52-9
PubChem CID
39378
DTXSID
DTXSID70195674
ChEMBL
CHEMBL1570795
ChEBI
CHEBI:194599
EC Number
670-499-3
Nikkaji
J37.040A

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
94 · 94-96 °C(lit.)
Boiling point
180 °C · 180 °C / 15mmHg
Density
1.1752 · 1.1752 (rough estimate)
refractive index
1.5854 · 1.5854 (estimate)
storage temp.
2 · Storage temp. 2-8°C
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

Safety data

wgk
3
rtecs
OB4571050
hs_code
29329900
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25

Chemistry & industry

Applications

Uses2-Acetyl-7-methoxybenzofuran is a building block that has been used as a reagent for the preparation of 2-ethylbenzofuran derivatives to be used as potent human uric acid transporter 1 (hURAT1) inhibitors.

Upstream & downstream products

Suppliers78 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
山东龙辰药业有限公司15964061209 15964061209 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Additional notes

DefinitionChEBI: 2-Acetyl-7-methoxybenzofuran is a member of benzofurans.

Related reactions

14 records
New reaction record

Compound notes

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