1-Benzofuran-5-carbaldehyde

HCID 2773875CAS 10035-16-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccc2occc2c1
InChIKey
LLLBDLDNTMMZHL-UHFFFAOYSA-N
Molecular formula
C9H6O2
Average molar mass
146.14 g/mol
Monoisotopic mass
146.03677943

Overview

1-Benzofuran-5-carbaldehyde has been reported in Xylobolus subpileatus and Tetrapanax papyrifer with data available.

Names & identifiers

Preferred name
1-Benzofuran-5-carbaldehyde
IUPAC
1-benzofuran-5-carbaldehyde
English name
1-Benzofuran-5-carbaldehyde
Molecular formula
C9H6O2
Molecular weight
146.14

Names & synonyms

1-Benzofuran-5-carbaldehyde10035-16-2benzofuran-5-carbaldehydeDTXSID50378761RefChem:429617DTXCID00329788674-714-15-BENZOFURANCARBOXALDEHYDE5-formylbenzofuranbenzofuran-5-carboxaldehydeMFCD034111825-formylbenzo[b]furan
Show more names
5-Formyl-1-benzofuranBenzofurancarbaldehyde5-Benzofurancarbaldehyde5-FORMYLBENZO[BETA]FURAN
benzo[b]furan-5-carbaldehyde5-formylbenzo(b)furanbenzo[b]furan-5-carboxaldehydeCHEMBL3358215BDBM50037779AKOS006229020MB027251-benzofuran-5-carbaldehyde, AldrichCPR

Database identifiers

CAS
10035-16-2
PubChem CID
2773875
DTXSID
DTXSID50378761
ChEMBL
CHEMBL3358215
EC Number
674-714-1
Nikkaji
J81.452K

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
50.5 · 50.5
Boiling point
70 · 70-74°C 0,15mm
Density
1.238 · 1.238±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
low melting solid
color
Light yellow crystalline

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

hs_code
2932990090
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS05,GHS08
hazard_code
Xi
safety_code
26-36/37/39-37/39

Chemistry & industry

Applications · 1 item

Uses1-Benzofuran-5-carbaldehyde is a building block used as a reactant in the synthetic preparation of benzofuranyl oxadiazoles as inhibitors of glycogen synthase kinase-3β with good brain permeability. It is also used in the synthesis of pyrroloquinolone PDE5 inhibitors used for clinical studies on erectile dysfunction.

Upstream & downstream products

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
郑州海阔光电材料有限公司67759225 13526468238 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Related reactions

39 records
New reaction record

Linked notes

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