6-ニトロイソベンゾフラン-1(3H)-オン

6-Nitrophthalide

HCID 223584CAS 610-93-5
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C1OCc2ccc([N+](=O)[O-])cc21
InChIKey
RNWGZXAHUPFXLL-UHFFFAOYSA-N
分子式
C8H5NO4
平均分子量
179.13 g/mol
単同位体質量
179.02185764

名称と識別子

優先名称
6-Nitrophthalide
IUPAC
6-nitro-3H-2-benzofuran-1-one
現地名
6-ニトロイソベンゾフラン-1(3H)-オン
英語名
6-Nitrophthalide
分子式
C8H5NO4
分子量
179.13

名称と別名

6-Nitrophthalide610-93-56-nitro-1,3-dihydro-2-benzofuran-1-oneNSC 113321,3-Dihydro-6-nitrobenzo[c]furan-1-one1,3-Dihydro-6-nitrobenzo(c)furan-1-oneRefChem:544099676-656-26-Nitroisobenzofuran-1(3H)-one6-Nitro-3H-isobenzofuran-1-one6-nitro-3H-2-benzofuran-1-oneMFCD00033529
名称をさらに表示
6-ニトロイソベンゾフラン-1(3H)-オン6-ニトロフタリド6-ニトロ-1,3-ジヒドロイソベンゾフラン-1-オン6-ニトロ-1(3H)-イソベンゾフラノン6‐ニトロフタリド6-ニトロ-1,3-ジヒドロ-2-ベンゾフラン-1-オンAKOS 237-806-NITROPHTALIDEBUTTPARK 33\04-92RARECHEM AR PA 00386-Nitrophthalide,97%6-Nitrophthalide, 97% 1GR
6-nitro-1(3H)-isobenzofuranone1(3H)-Isobenzofuranone, 6-nitro-6-Nitro-2-benzofuran-1(3H)-one35QB7T32YCPhthalide, 6-nitro-NSC11332Maybridge1_005101NSC-11332

データベース識別子

CAS
610-93-5
PubChem CID
223584
DTXSID
DTXSID00870684
ChEMBL
CHEMBL2144021
UNII
35QB7T32YC
EC Number
676-656-2
Nikkaji
J95.080G

物性

構造計算による物性

XLogP
0.6
極性表面積
72.1 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
0
重原子数
13

物理化学的性質

融点
140 · 140-145 °C(lit.)
沸点
311.63 °C · 311.63°C (rough estimate)
比重(密度)
1.4908 · 1.4908 (rough estimate)
屈折率
1.516 · 1.5160 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
外見
結晶性粉末

化学的性質

化学的特性pale yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

安全データ

wgk
3
hs_code
29322090
risk_code
20/21/22-36/37/38
hazard_code
Xi
safety_code
24/25-37-26
hazard_class
IRRITANT

化学と産業

応用分野 · 1 件

使用6-Nitrophthalide is a fluorescent heterocycle that can be used as a probe for specific inhibition. It is homologous to other fluorescent probes such as fluorescein, nitrobenzene, and nitrophenol. It has been shown to have inhibitory properties against triazole and dipole, which are catalytic asymmetric. 6-Nitrophthalide has also been shown to have the ability to inhibit the oxidation of aldehydes.

調製方法

製造方法6-Nitrophthalide is synthesized from 2-nitrobenzaldehyde via a two-step process, and then reacted with methyl iodide.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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