Naphthalimide (HCID 66491)

名称と識別子

優先名称: Naphthalimide
IUPAC: benzo[de]isoquinoline-1,3-dione
現地名: 1,8-ナフタルイミド
英語名: 1,8-Naphthalimide
分子式: C12H7NO2
分子量: 197.19

名称と別名

1,8-Naphthalimide81-83-4Naphthalimide1H-Benzo[de]isoquinoline-1,3(2H)-dione1,8-NaphthalenedicarboximideBenzo[de]isoquinoline-1,3-dione1H-Benz[de]isoquinoline-1,3(2H)-dioneGI0TV19GBNNaphthalene-1,8-dicarboximide1,8-NAPHTHALENEIMIDE1H-Benz(de)isoquinoline-1,3(2H)-dioneEINECS 201-379-7

名称をさらに表示

1,8-ナフタルイミド1,8-ナフタレンジカルボキシミド1H-ベンゾ[de]イソキノリン-1,3(2H)-ジオンナフタル酸イミドナフタルイミドナフタレン-1,8-ジカルボイミド1,8-ナフタレンジカルボイミド2H-ベンゾ[de]イソキノリン-1,3-ジオン2,3-ジヒドロ-1H-ベンゾ[de]イソキノリン-1,3-ジオン1,8-ナフタレンジカルボキシイミド1,8-ナフタルイミド, 98%3-アザトリシクロ[7.3.1.05,13]トリデカ-1(13),5,7,9,11-ペンタエン-2,4-ジオンNaphthalin-1,8-dicarbonsureimid1,8-N1,8-phthalimideAKOS BBS-000007311,8-Naphthalimide>

NSC 11011NSC-11011EC 201-379-71H-BENZO(DE)ISOQUINOLINE-1,3(2H)-DIONE1,8-naphthalenedicarboxylic acid imideBENZO(DE)ISOQUINOLINE-1,3-DIONERefChem:831986Naphthalimide (8CI)

データベース識別子

CAS: 81-83-4
PubChem CID: 66491
DTXSID: DTXSID0044731
ChEMBL: CHEMBL339586
UNII: GI0TV19GBN
EC Number: 201-379-7
Nikkaji: J3.863F

物性

構造計算による物性

XLogP: 1.7
極性表面積: 46.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 285

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure

Physical DescriptionCBI

Collision Cross Section140.8 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044731]

物理化学的性質

融点: 299 · 299-300 °C(lit.)
沸点: 334.29 °C · 334.29°C (rough estimate)
比重(密度): 1.2292 · 1.2292 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 20℃
屈折率: 1.45 · 1.4500 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 9.48 · 9.48±0.20(Predicted)
色: White to Yellow to Orange
水溶解度: 水に不溶。
BRN: 153150 · 153150
InChI: 1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
InChIKey: XJHABGPPCLHLLV-UHFFFAOYSA-N
SMILES: O=C1NC(=O)c2cccc3cccc1c23
LogP: 1.4 at · 1.4 at 24℃
CAS データベース: 81 · 81-83-4(CAS DataBase Reference)
NISTの化学物質情報: 1 H-Benz[de]isoquinoline-1,3 · 1H-Benz[de]isoquinoline-1,3(2H)-dione(81-83-4)
EPAの化学物質情報: 1 H-Benz[de]isoquinoline-1,3 · 1H-Benz[de]isoquinoline-1,3(2H)-dione (81-83-4)

化学的性質

化学的特性off-white to white powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 71.9% (105 of 146) of all reports.

Warning

H302 (27.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

1H-Benz[de]isoquinoline-1,3(2H)-dione is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Benz[de]isoquinoline-1,3(2H)-dione are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8318

Hazard Classes and CategoriesAcute Tox. 4 (27.4%)

安全データ

wgk: 1
tsca: TSCA listed
hs_code: 29251995
risk_code: 22-36
hazard_code: Xn,Xi
safety_code: 37/39-26
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2023: 550,000 - <1,000,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 件

Synthetic Dye and Pigment Manufacturing

1H-Benz[de]isoquinoline-1,3(2H)-dione: ACTIVE

応用分野

使用It is a useful material for utilization in phosphorescence dye doped organic light emitting diodes (oleds), hole blocking and electron-conducting material.