2-碘苯胺

2-Iodoaniline

HCID 11995CAS 615-43-0

子结构检索查找相似结构

基本信息

标准SMILES: Nc1ccccc1I
InChIKey: UBPDKIDWEADHPP-UHFFFAOYSA-N
分子式: C6H6IN
平均分子量: 219.02 g/mol
单同位素质量: 218.95449719

概述

structure in first source

名称与标识

首选名称: 2-Iodoaniline
IUPAC: 2-iodoaniline
英文名: 615-43-0
分子量: 0

名称与别名

2-IODOANILINE615-43-02-iodobenzenamineBenzenamine, 2-iodo-RefChem:473764210-426-0o-IodoanilineAniline, 2-iodo-2-iodo anilineMFCD00007680o-AminoiodobenzeneAniline, o-iodo-

展开更多名称

1-AMINO-2-IODOBENZENE2-IODO-PHENYLAMINE2-iodophenylamineNSC34544NSC-34544EN300-19100Benzenamine, iodo-2-iodaniline

数据库标识

CAS: 615-43-0
PubChem CID: 11995
DTXSID: DTXSID5060649
UNII: HG8AH25P4W
EC Number: 210-426-0
Nikkaji: J96.171J

性质

结构计算性质

XLogP: 2.3
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 74.9

实验与物化性质

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP2.32

物理化学性质

熔点: 56.5 °C · 56.5 °C
沸点: 262 · 262.0±23.0 °C(Predicted)
密度: 1.924 · 1.924±0.06 g/cm3(Predicted)
酸度系数(pKa): 2.54 · 2.54±0.10(Predicted)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (96.1%): 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.