4-Methyl-1,3-isobenzofurandione

HCID 98500CAS 30140-42-2

基本情報

標準SMILES: Cc1cccc2c1C(=O)OC2=O
InChIKey: TWWAWPHAOPTQEU-UHFFFAOYSA-N
分子式: C9H6O3
平均分子量: 162.14 g/mol
単同位体質量: 162.03169405

名称と識別子

優先名称: 4-Methyl-1,3-isobenzofurandione
IUPAC: 4-methyl-2-benzofuran-1,3-dione
英語名: 4-methylisobenzofuran-1,3-dione
分子式: C9H6O3
分子量: 0

名称と別名

3-Methylphthalic anhydride4792-30-71,3-Isobenzofurandione, 4-methyl-Phthalic anhydride, 3-methyl-2,3-Toluenedicarboxylic anhydride4-Methyl-1,3-isobenzofurandioneBJC50EL71IEINECS 225-344-0NSC 61875NSC-61875DTXSID0063606RefChem:524884

名称をさらに表示

DTXCID0040593225-344-04-methylisobenzofuran-1,3-dione4-Methyl-2-benzofuran-1,3-dione30140-42-2MFCD000473163-Methyl phthalic anhydride4-methyl-1,3-dihydro-2-benzofuran-1,3-dione

データベース識別子

CAS: 30140-42-2、4792-30-7
PubChem CID: 98500
DTXSID: DTXSID0063606
ChEMBL: CHEMBL1814074
UNII: BJC50EL71I
EC Number: 225-344-0
Nikkaji: J262.457E

物性

構造計算による物性

XLogP: 1.7
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 234

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (14.3%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.