2-クロロ-4-ヒドロキシベンズアルデヒド

2-Chloro-4-hydroxybenzaldehyde

HCID 185363

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 56962-11-9
標準SMILES: O=Cc1ccc(O)cc1Cl
InChIKey: ZMOMCILMBYEGLD-UHFFFAOYSA-N
分子式: C7H5ClO2
平均分子量: 156.56 g/mol
単同位体質量: 155.99780708

名称と識別子

優先名称: 2-Chloro-4-hydroxybenzaldehyde
IUPAC: 2-chloro-4-hydroxybenzaldehyde
現地名: 2-クロロ-4-ヒドロキシベンズアルデヒド
英語名: 2-Chloro-4-hydroxybenzaldehyde
分子式: C7H5ClO2
分子量: 156.57

名称と別名

2-Chloro-4-hydroxybenzaldehyde56962-11-9Benzaldehyde, 2-chloro-4-hydroxy-DTXSID10901216RefChem:469007DTXCID301329595623-499-2InChI=1/C7H5ClO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10MFCD000521842-chloro-4-hydroxy-benzaldehydeBenzaldehyde, chloro-4-hydroxy-SCHEMBL115174

名称をさらに表示

2-クロロ-4-ヒドロキシベンズアルデヒド2-クロロ-4-ヒドロキシベンズアルデヒド, 97%TIMTEC-BB SBB0040144-Bromo-4-fluoroacetophenone2-Chloro-4-hydroxybenzaldehyde, 97%,2-CHLORO-4-HYDROXYBENZALDEHYDE 99% &2-Chloro-4-hydroxybenzaldehyde ISO 9001：2015 REACH(1R)-1-(3-bromoisoquinolin-7-yl)-2-phenylethan-1-amine

94650-94-9GS-3327Z1255419357BCP168362 -CHLORO-4-HYDROXYBENZALDEHYDEFT-0601206A8312642-Chlor-4-hydroxy-benzaldehyd

データベース識別子

CAS: 56962-11-9、94650-94-9
PubChem CID: 185363
DTXSID: DTXSID10901216
EC Number: 623-499-2
Nikkaji: J1.353.822K

物性

構造計算による物性

XLogP: 2.2
極性表面積: 37.3 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: 1
重原子数: 10
形式電荷: 0
複雑度: 127

物理化学的性質

融点: 145 · 145-147 °C (lit.)
沸点: 272.5 · 272.5±20.0 °C(Predicted)
比重(密度): 1.404 · 1.404±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 有機溶剤に可溶。
酸解離定数(Pka): 6.81 · 6.81±0.18(Predicted)
外見: solid
InChI: InChI=1S/C7H5ClO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H
InChIKey: ZMOMCILMBYEGLD-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(O)C=C1Cl
CAS データベース: 56962 · 56962-11-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzaldehyde, 2-chloro-4-hydroxy-(56962-11-9)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29124900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2-Chloro-4-hydroxybenzaldehyde, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

一般的な説明N-Thioamide thiosemicarbazone derivatives of 2-chloro-4-hydroxy-benzaldehyde have been prepared. pK values for acid dissociation of 2-chloro-4-hydroxybenzaldehyde has been evaluated.