4-ヨードアニリン

4-Iodoaniline

HCID 10893CAS 540-37-4

基本情報

標準SMILES
Nc1ccc(I)cc1
InChIKey
VLVCDUSVTXIWGW-UHFFFAOYSA-N
分子式
C6H6IN
平均分子量
219.02 g/mol
単同位体質量
218.95449719

概要

reagent

名称と識別子

優先名称
4-Iodoaniline
IUPAC
4-iodoaniline
現地名
4-ヨードアニリン
英語名
4-Iodoaniline
分子式
C6H6IN
分子量
219.02

名称と別名

4-IODOANILINE540-37-4p-IodoanilineBenzenamine, 4-iodo-4-Iodobenzenamine0BMK56397BNSC-9246DTXSID9060239RefChem:858089DTXCID5041564208-743-44-iodophenylamine
名称をさらに表示
4-ヨードアニリン4-ヨードフェニルアミン1-ヨード-4-アミノベンゼン1-アミノ-4-ヨードベンゼン4-アミノフェニルヨージドp-ヨードアニリン4-ヨードベンゼンアミン4-ヨ-ドアニリン4‐ヨードアニリン4-ヨードアニリン, 98%1-amino-4-iodobenzene4-IodoaniL4-LODANILINE4-iodo-anilinp-iodo-anilinp-lodoaniline
Aniline, p-iodo-Aniline, 4-iodo-p-Aminophenyl iodide4-Iodo-phenylamineMFCD000078484-iodobenzeneamine4-iodo-benzenamineCCRIS 9122

データベース識別子

CAS
540-37-4
PubChem CID
10893
DTXSID
DTXSID9060239
ChEMBL
CHEMBL41790
UNII
0BMK56397B
EC Number
208-743-4
Nikkaji
J60.430E

物性

構造計算による物性

XLogP
2.3
極性表面積
26 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
0
重原子数
8

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.34
Vapor Pressure0.00767 [mmHg]
Physical DescriptionWhite solid; [Merck Index] Light brown crystalline powder; [Alfa Aesar MSDS]

物理化学的性質

融点
61 · 61-63 °C(lit.)
沸点
268.7 · 268.7±23.0 °C(Predicted)
比重(密度)
1.8155 · 1.8155 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
溶解性
2 O: · H2O: わずかに溶ける
外見
結晶性粉末または針

化学的性質

化学的特性beige to greyish-brown crystalline powder. soluble in alcohol, ether and chloroform, slightly soluble in water.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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 63 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzenamine, 4-iodo-

4-Iodoaniline: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Causes degenerative spinal cord changes, structural changes in peripheral nerve or sheath, dyspnea, cyanosis, and weight loss in acute oral studies of rats; [RTECS] A skin and strong eye irritant; May induce methemoglobinemia; Harmful by inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (98.4%)

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

F
8
wgk
3
tsca
TSCA listed
rtecs
BY3850000
ridadr
2811
hs_code
29214210

化学と産業

用途と製造

UsesA reagent; [ChemIDplus]
General Manufacturing InformationBenzenamine, 4-iodo-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用4-Iodoaniline is a iodine substituted aniline that is widely used as chemical intermediates in the manufacturing of pesticides, dyes and drugs. 4-Iodoaniline was shown to be a more potent nephrotoxica nt in vitro than other anilines.

一般的な説明4-Iodoaniline is the most potent methaemoglobin former.

調製方法 · 2 件

製造方法4-Iodoaniline is obtained by the reaction of aniline and iodine in the presence of sodium bicarbonate. Add aniline and sodium bicarbonate to water and slowly add crushed iodine in stages with vigorous stirring. If the reaction solution is yellow, add a little sodium bisulfite to make it discolor, then filter and get the crude product. Then the product is recrystallized by ethanol to obtain 4-Iodoaniline.

純化方法Crystallise it from pet ether (b 60-80o) by refluxing, then cool it in an ice-salt bath freezing mixture. Dry it in air. Alternatively, crystallise it from EtOH and dry it in vacuo for 6hours at 40o [Edidin et al. J Am Chem Soc 109 3945 1987]. The N-acetyl derivative has m 184o (from MeOH). [Beilstein 12 IV 1544.]

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

関連反応

321 件

関連ノート

読み込み中…