1-Benzofuran-3-yl acetate

HCID 2769621CAS 93680-80-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Oc1coc2ccccc12
InChIKey
XCBLZAJCKKRBED-UHFFFAOYSA-N
Molecular formula
C10H8O3
Average molar mass
176.17 g/mol
Monoisotopic mass
176.04734412

Names & identifiers

Preferred name
1-Benzofuran-3-yl acetate
IUPAC
1-benzofuran-3-yl acetate
English name
3-Acetoxybenzofuran
Molecular formula
C10H8O3
Molecular weight
176.17

Names & synonyms

1-benzofuran-3-yl acetateRefChem:429614449-680-43-Acetoxybenzofuran93680-80-93-Acetoxybenzo[b]furanbenzofuran-3-yl acetate3-Benzofuryl AcetateMFCD001517883-acetoxyl-benzofuranbenzo[b]furan-3-yl acetateorb3031529
Show more names
3-Acetoxybenzofuran,99%3-Acetoxybenzo[b]furane3-Benzofuranol, 3-acetate3-Acetoxybenzo[b]furan-98%
SCHEMBL5761877DTXSID70377796Fr12278AC8972GEO-00011AKOS005254392AS-57225SY253154

Database identifiers

CAS
93680-80-9
PubChem CID
2769621
DTXSID
DTXSID70377796
EC Number
449-680-4、805-159-7

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Boiling point
264.2 · 264.2±13.0 °C(Predicted)
Density
1.223 · 1.223±0.06 g/cm3(Predicted)
refractive index
1.543 · 1.543-1.545
form
Liquid
color
Clear light yellow
Water Solubility
Insoluble

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Hazard information

Regulatory InformationStatus: Active Update: 19-09-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/3545
Hazard Classes and Categories · 2 items

Skin Sens. 1B (100%)

Skin Sens. 1 (100%)

Safety data

hs_code
29329900
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07,GHS09
hazard_code
Xn
safety_code
24/25

Chemistry & industry

Applications

Uses3-Acetoxybenzo[b]furan is a useful intermediate used in the synthesis of various pharmaceutically and biologically active compounds.

Upstream & downstream products

Suppliers25 total

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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