2-クロロ-5-ヒドロキシ安息香酸

2-Chloro-5-hydroxybenzoic acid

HCID 458210CAS 56961-30-9

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(O)c1cc(O)ccc1Cl
InChIKey: UTVCLUZQPSRKMY-UHFFFAOYSA-N
分子式: C7H5ClO3
平均分子量: 172.56 g/mol
単同位体質量: 171.9927217

名称と識別子

優先名称: 2-Chloro-5-hydroxybenzoic acid
IUPAC: 2-chloro-5-hydroxybenzoic acid
現地名: 2-クロロ-5-ヒドロキシ安息香酸
英語名: 2-CHLORO-5-HYDROXYBENZOIC ACID
分子式: C7H5ClO3
分子量: 172.57

名称と別名

2-Chloro-5-hydroxybenzoic acid56961-30-9DTXSID90332488RefChem:86289DTXCID30283581629-948-9MFCD04038818C7H5ClO32-Chloro-5-hydroxybenzene carboxylic acid2-chloro-5-hydroxy-benzoic acidSCHEMBL201278CL8039

名称をさらに表示

2-クロロ-5-ヒドロキシ安息香酸2-Chloro-5-hyroxybenzoicacid3-Carboxy-4-chlorophenol2-Chloro-5-hydroxybenzoic2-Chloro-5-hydroxybenzoic Acid >2-Chloro-5-hydroxybenzoic acid 98%

AKOS005257970CS-W007855FS-2095Z12016226972-chloro-5-hydroxybenzoicacidBenzoic acid, 2-chloro-5-hydroxy-AM808243FT-0682366

データベース識別子

CAS: 56961-30-9
PubChem CID: 458210
DTXSID: DTXSID90332488
EC Number: 629-948-9
Nikkaji: J2.158.994B

物性

構造計算による物性

XLogP: 1.8
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 178 · 178-180°C
沸点: 364.5 · 364.5±27.0 °C(Predicted)
比重(密度): 1.536 · 1.536±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 2.78 · 2.78±0.25(Predicted)
色: White to Light yellow
CAS データベース: 56961 · 56961-30-9

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 11 reports by companies from 6 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

hs_code: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37
hazard_class: IRRITANT

化学と産業

応用分野

使用2-Chloro-5-hydroxybenzoic Acid acts as a reagent for the synthesis, structure-activity relationship, and biological evaluation of a series of benzamides as potential multireceptor antipsychotics.