CAS 88234-77-9 7-Methoxy-1-benzofuran-2-carbaldehyde (HCID 3457310)

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Basic information

CAS: 88234-77-9
Standard SMILES: COc1cccc2cc(C=O)oc12
InChIKey: ZVPJQWBKNUJXSY-UHFFFAOYSA-N
Molecular formula: C10H8O3
Average molar mass: 176.17 g/mol
Monoisotopic mass: 176.04734411

Names & identifiers

Preferred name: 7-Methoxy-1-benzofuran-2-carbaldehyde
IUPAC: 7-methoxy-1-benzofuran-2-carbaldehyde
English name: 7-methoxybenzofuran-2-carbaldehyde
Molecular formula: C10H8O3
Molecular weight: 176.17

Names & synonyms

7-methoxy-1-benzofuran-2-carbaldehydeRefChem:546646894-234-87-Methoxybenzofuran-2-carbaldehyde88234-77-97-Methoxy-benzofuran-2-carbaldehyde7-methoxy-2-Benzofurancarboxaldehyde2-Formyl-7-methoxybenzofuranSCHEMBL118870SCHEMBL5683380ZVPJQWBKNUJXSY-UHFFFAOYSA-NNDA23477

Show more names

2-Benzofurancarboxaldehyde, 7-methoxy-

AKOS000116467DB-077212EN300-05536G408267-methoxy-benzofuran-2-carbaldehyde, AldrichCPRZ56914847MolPort-002-464-496, ZINC03886388, CID3457310, PB-90017577, 88234-77-9

Database identifiers

CAS: 88234-77-9
PubChem CID: 3457310
DTXSID: DTXSID70392661
EC Number: 894-234-8

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 41 · 41.0-43.9 °C(Solv: ethyl acetate (141-78-6))
Boiling point: 170 · 170-172 °C(Press: 10 Torr)
Density: 1.24 · 1.240±0.06 g/cm3(Predicted)
form: solid
InChI: 1S/C10H8O3/c1-12-9-4-2-3-7-5-8(6-11)13-10(7)9/h2-6H,1H3
InChIKey: ZVPJQWBKNUJXSY-UHFFFAOYSA-N
SMILES: COc1cccc2cc(C=O)oc12
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, 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.