4-ヨードベンズヒドラジド

4-Iodobenzenecarbohydrazide

HCID 306104CAS 39115-95-2

部分構造検索類似構造を探す

基本情報

標準SMILES: NNC(=O)c1ccc(I)cc1
InChIKey: ZVFGHUJYTXEOSI-UHFFFAOYSA-N
分子式: C7H7IN2O
平均分子量: 262.05 g/mol
単同位体質量: 261.96031

名称と識別子

優先名称: 4-Iodobenzenecarbohydrazide
IUPAC: 4-iodobenzohydrazide
現地名: 4-ヨードベンズヒドラジド
英語名: 4-Iodobenzhydrazide
分子式: C7H7IN2O
分子量: 262.05

名称と別名

4-iodobenzenecarbohydrazideRefChem:524241674-177-34-iodobenzohydrazide4-Iodobenzhydrazide39115-95-2MFCD002701074-iodobenzoylhydrazine4 Iodo benzohydrazideNSC2034304-Iodobenzoic acid hydrazide4-iodo-benzoic acid hydrazide

名称をさらに表示

4-ヨードベンズヒドラジド4-ヨードベンゾヒドラジド4-ヨード安息香酸ヒドラジドASISCHEM D13390Benzoic acid, 4-iodo-, hydrazide

4-Iodobenzoi4-iodanylbenzohydrazide4-Jod-benzoyl-hydrazin4-Iodo Benzoyl Hydrazine4-Iodobenzoic acid, hydrazideSCHEMBL1363640CHEMBL3091864DTXSID10308403

データベース識別子

CAS: 39115-95-2
PubChem CID: 306104
DTXSID: DTXSID10308403
ChEMBL: CHEMBL3091864
EC Number: 674-177-3
Nikkaji: J1.560.320H

物性

構造計算による物性

XLogP: 1.6
極性表面積: 55.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 143

物理化学的性質

融点: 173 °C · 173 °C
比重(密度): 1.884 · 1.884±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 12.13 · 12.13±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.