2,4-ジニトロヨードベンゼン

2,4-Dinitroiodobenzene

HCID 69730CAS 709-49-9

基本情報

標準SMILES: O=[N+]([O-])c1ccc(I)c([N+](=O)[O-])c1
InChIKey: FXMKXMJLXRTQSW-UHFFFAOYSA-N
分子式: C6H3IN2O4
平均分子量: 294 g/mol
単同位体質量: 293.91375458

概要

2,4-dinitroiodobenzene is iodobenzene substituted at C-2 and -4 with nitro groups. It is a C-nitro compound and an organoiodine compound.

名称と識別子

優先名称: 2,4-Dinitroiodobenzene
IUPAC: 1-iodo-2,4-dinitrobenzene
現地名: 2,4-ジニトロヨードベンゼン
英語名: 2,4-Dinitroiodobenzene
分子式: C6H3IN2O4
分子量: 294

名称と別名

2,4-Dinitroiodobenzene1-Iodo-2,4-dinitrobenzene709-49-92,4-dinitro-1-iodobenzeneNOT697X2XMDTXSID10221128NSC-10266CHEBI:59000RefChem:443834DTXCID10143619211-908-3Benzene, 1-iodo-2,4-dinitro-

名称をさらに表示

2,4-ジニトロヨードベンゼン2,4-ジニトロ-1-ヨードベンゼン1-ヨード-2,4-ジニトロベンゼン6-ヨード-1,3-ジニトロベンゼンAKOS 907476-IODO-1,3-DINITROBENZENE2,4-Dinitroiodobenzene >2,4-Dinitroiodobenzene,98%

1-iodo-2,4-dinitro-benzeneMFCD00039738CCRIS 7907EINECS 211-908-34-iodo-1,3-dintrobenzene6-iodo-1,3-dintrobenzene2,4-DINITROPHENYL IODIDEIODO-2,4-DINITROBENZENE, 1-

データベース識別子

CAS: 709-49-9
PubChem CID: 69730
DTXSID: DTXSID10221128
ChEBI: CHEBI:59000
UNII: NOT697X2XM
EC Number: 211-908-3
Nikkaji: J193.079F

物性

構造計算による物性

XLogP: 2.3
極性表面積: 91.6 Å²
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
形式電荷: 0
複雑度: 224

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic

SpringerMaterials PropertiesChemical shift

Physical DescriptionYellow powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 86 · 86-88 °C(lit.)
沸点: 351.8 · 351.8±32.0 °C(Predicted)
比重(密度): 2.174 · 2.174±0.06 g/cm3(Predicted)
外見: powder to crystal
色: Light yellow to Yellow to Orange
水溶解度: 水に不溶。
BRN: 1113584 · 1113584
CAS データベース: 709 · 709-49-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,4-Dinitroiodobenzene(709-49-9)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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

Hazards SummaryA skin and strong eye irritant; May cause skin sensitization; [Alfa Aesar MSDS] See 1-Chloro-2,4-dinitrobenzene and 1-Fluoro-2,4-dinitrobenzene.

Hazard Classes and CategoriesSkin Irrit. 2 (11.4%)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

安全データ

wgk: 3
hs_code: 2904.20.4500
risk_code: 42/43
消防法: 危-5-II
hazard_code: Xn
safety_code: 22-26-37

化学と産業

応用分野

使用It is employed in the cloning and characterization of a biotic-stress-inducible glutathione transferase from Phaseolus vulgaris.

調製方法

純化方法Crystallise it from EtOAc. [Beilstein 5 H 270.]

サプライヤー50 社

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宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

補足説明

定義ChEBI: Iodobenzene substituted at C-2 and -4 with nitro groups.