5-氯代水杨酸 (HCID 9447)

概述

5-chlorosalicylic acid is a monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine. It is a chlorobenzoic acid, a monohydroxybenzoic acid and a member of monochlorobenzenes. It is functionally related to a benzoic acid. It is a conjugate acid of a 5-chlorosalicylate.

名称与标识

首选名称: 5-Chlorosalicylic Acid
IUPAC: 5-chloro-2-hydroxybenzoic acid
中文名: 5-氯代水杨酸
英文名: 5-Chloro-2-hydroxybenzoic acid
分子式: C7H5ClO3
分子量: 172.57

名称与别名

5-CHLOROSALICYLIC ACID5-Chloro-2-hydroxybenzoic acid321-14-2Benzoic acid, 5-chloro-2-hydroxy-2-Hydroxy-5-chlorobenzoic acid5 CSASalicylic acid, 5-chloro-J2YFG68VCZCHEBI:420128NSC-30111DTXSID7059806RefChem:102404

展开更多名称

5-氯杨酸5-氯水杨酸5-氯水杨酰氯5-氯代水杨酸艾沙佐米杂质235-氯水杨酸,99%2-羟基-5-氯苯甲酸5-氯-2-羟基苯甲酸5-氯代水杨酸 5-氯水杨酸5-氢水杨酰氯(5-氯水杨酸)JACS-321-14-2RARECHEM AL BO 08475-Chlorosalicylic ac5-chloro-salicylicaci5-ChlorosaliclylicAcid5-chlorosalicylic aicd5-CHLOROSALICYCLIC ACID

DTXCID1038452206-283-95-Chloro-2-hydroxy-benzoic acidMFCD000024575-chloro salicylic acidCHEMBL13755-Chloro-2-hydroxybenzoicacidCCRIS 4485

数据库标识

CAS: 321-14-2
PubChem CID: 9447
DTXSID: DTXSID7059806
ChEMBL: CHEMBL1375
ChEBI: CHEBI:420128
UNII: J2YFG68VCZ
EC Number: 206-283-9
Nikkaji: J26.969G

性质

结构计算性质

XLogP: 3.1
极性表面积: 57.5 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 160

实验与物化性质

SpringerMaterials PropertiesCrystal structure

LogP2.9

物理化学性质

熔点: 171 · 171-172 °C(lit.)
沸点: 244.67 °C · 244.67°C (rough estimate)
密度: 1.3766 · 1.3766 (rough estimate)
折射率: 1.458 · 1.4580 (estimate)
储存条件: Inert atmosphere,Room Temperature
溶解度: 1 g/l · 1g/l
酸度系数(pKa): 1 · pK1:2.63 (25°C)
形态: powder to crystal
颜色: White to Almost white
PH值: 2.5 · 2.5 (H2O, 20℃)(aqueous suspension)
水溶解性: 1 g/L · 1 g/L (20 ºC)
BRN: 2046665 · 2046665
化妆品成分功效: SKIN CONDITIONING
InChI: 1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey: NKBASRXWGAGQDP-UHFFFAOYSA-N
SMILES: OC(=O)c1cc(Cl)ccc1O
LogP: 3.09 · 3.090
CAS 数据库: 321 · 321-14-2(CAS DataBase Reference)
NIST化学物质信息: 5 · 5-Chlorosalicylic acid(321-14-2)
EPA化学物质信息: 5 · Benzoic acid, 5-chloro-2-hydroxy- (321-14-2)

化学性质

白色结晶性粉末。熔点173-174℃（172℃，174-176℃）。溶于热水，难溶于冷水，易溶于乙醇、乙醚、苯、氯仿和乙酸。与氯化铁作用呈红紫色。

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (98.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 2 条

Status: Active Update: 22-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17865

5-Chloro-2-hydroxybenzoic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (98.3%)

安全数据

wgk: 3
tsca: TSCA listed
毒性: LD50 oral in rat: 250mg/kg
RTECS号: VO2080000
包装类别: III
危险等级: 6.1
存储类别: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
安全说明: 26-36-37/39
海关编码: 29182990
危险品标志: Xn
危险性类别: Acute Tox. 3 Oral
危险类别码: 22-36/38-36/37/38-20/21/22
危险品运输编号: UN 2811 6.1/PG 3

化学与工业

用途与制造

UsesSynthetic Polymer MALDI Matrix Compounds

General Manufacturing InformationBenzoic acid, 5-chloro-2-hydroxy-: ACTIVE

应用领域

用途染料、医药的中间体。

用途用作农药、医药、染料中间体

制备方法

生产方法将氯苯加入搪瓷锅蒸去水分至0.03%以下，投入水杨酸，在110±2℃均匀通氯至预定量。取样观察冷至30℃的析出物，过滤，测熔点，以167-175℃为合格，即得5-氯水杨酸的氯苯溶液。如果氯化反应在日光灯照射下进行，则在55-80℃能氯至理论量，取样检测合格后，排除剩余氯，冷却，过滤，用氯苯洗涤，干燥，即得成品。

试剂价格

C0287 · 25G: 5-氯水杨酸5-Chlorosalicylic Acid — 40元
C0287 · 500G: 5-氯水杨酸5-Chlorosalicylic Acid — 460元

供应商50 家

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关联笔记

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5-氯代水杨酸

基本信息

概述