CAS 14963-96-3 4-Methoxy-1,3-dihydro-2-benzofuran-1,3-dione (HCID 291193)

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Basic information

CAS: 14963-96-3
Standard SMILES: COc1cccc2c1C(=O)OC2=O
InChIKey: KRKJKLCCCGDNCY-UHFFFAOYSA-N
Molecular formula: C9H6O4
Average molar mass: 178.14 g/mol
Monoisotopic mass: 178.02660867

Names & identifiers

Preferred name: 4-Methoxy-1,3-dihydro-2-benzofuran-1,3-dione
IUPAC: 4-methoxy-2-benzofuran-1,3-dione
English name: 1,3-Isobenzofurandione,4-methoxy-(9CI)
Molecular formula: C9H6O4
Molecular weight: 178.14

Names & synonyms

4-methoxy-1,3-dihydro-2-benzofuran-1,3-dioneRefChem:524465869-290-14-METHOXYISOBENZOFURAN-1,3-DIONE14963-96-34-methoxy-2-benzofuran-1,3-dione4-Methoxy-1,3-isobenzofurandione1,3-Isobenzofurandione,4-methoxy-(9CI)3-methoxyphthalic anhydrideMFCD000347214-methoxy-isobenzofuran-1,3-dioneNSC 239373

Show more names

1,3-Isobenzofurandione, 4-methoxy-

1,3-Isobenzofurandione,4-methoxy-NSC1561463-methoxy-phthalic anhydrideSCHEMBL382674SCHEMBL306100213-methoxy-phthalic acid anhydrideDTXSID40303027KRKJKLCCCGDNCY-UHFFFAOYSA-N

Database identifiers

CAS: 14963-96-3
PubChem CID: 291193
DTXSID: DTXSID40303027
EC Number: 869-290-1
Nikkaji: J2.148.884D

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 248

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, 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.