CAS 320-72-9 3,5-Dichlorosalicylic acid (HCID 9445)

部分構造検索類似構造を探す

基本情報

CAS: 320-72-9
標準SMILES: O=C(O)c1cc(Cl)cc(Cl)c1O
InChIKey: CNJGWCQEGROXEE-UHFFFAOYSA-N
分子式: C7H4Cl2O3
平均分子量: 207.01 g/mol
単同位体質量: 205.95374935

概要

3,5-Dichlorosalicylicacid is a chlorobenzoic acid.

名称と識別子

優先名称: 3,5-Dichlorosalicylic acid
IUPAC: 3,5-dichloro-2-hydroxybenzoic acid
現地名: 3,5-ジクロロサリチル酸
英語名: 3,5-Dichlorosalicylic acid
分子式: C7H4Cl2O3
分子量: 207.01

名称と別名

3,5-DICHLOROSALICYLIC ACID3,5-Dichloro-2-hydroxybenzoic acid320-72-9Benzoic acid, 3,5-dichloro-2-hydroxy-2-Hydroxy-3,5-dichlorobenzoic acidSalicylic acid, 3,5-dichloro-USAF DO-683,5-Dichlorosalicyclic acidDTXSID3044914O6PXR32G3VNSC-30109DTXCID1024914

名称をさらに表示

3,5-ジクロロサリチル酸2-ヒドロキシ-3,5-ジクロロ安息香酸3,5-ジクロロ-2-ヒドロキシ安息香酸3,5-ジクロロサリチルサンusafdo-68TIMTEC-BB SBB003480RARECHEM AL BE 00323,5-Dichlorosalicyli3,5-dichloro-salicylicaci3,5-DICHLOROSSALICYLICACID3,5-Dichlorosa licglic acid

beta-CDP-3RefChem:486779206-281-8MFCD000024423,5-Dichlorosalicylicacid3,5-dichloro-2-hydroxy-benzoic acidCHEMBL44912935-Dichloro-2-hydroxybenzoic acid

データベース識別子

CAS: 320-72-9
PubChem CID: 9445
DTXSID

物性

構造計算による物性

XLogP: 2.9
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: 12
形式電荷: 0
複雑度: 185

実験および物理化学的性質

Chemical ClassesOther Classes -> Benzoic Acid Derivatives

Color/FormNEEDLES FROM DIL ALC, RHOMBIC PRISMS

SolubilitySLIGHTLY SOL IN HOT WATER; VERY SOL IN ALCOHOL; SOL IN ETHER

Boiling PointBP: SUBLIMES, SLIGHT DECOMP

Melting Point220-221 °C

Physical DescriptionSolid; [HSDB] Crystalline powder; [MSDSonline]

物理化学的性質

融点: 220 · 220-222 °C (lit.)
沸点: 297.29 °C · 297.29°C (rough estimate)
比重(密度): 1.5281 · 1.5281 (rough estimate)
屈折率: 1.4845 · 1.4845 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (58.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 182 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationT - indicates a substance that is the subject of a final TSCA section 4 test rule.

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 4 (58.8%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: VO2450000
hs_code: 29182900
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids
有毒物質データの: 320-72-9(Hazardous Substances Data)

化学と産業

用途と製造

General Manufacturing InformationBenzoic acid, 3,5-dichloro-2-hydroxy-: ACTIVE

応用分野

使用3,5-Dichlorosalicylic acid is a bio-active drug and is a potential inhibitor of human 20α-hydroxysteroid dehydrogenase. It also finds its application as medicine and dyes intermediates.

一般的な説明3,5-Dichlorosalicylic acid is a bio-active drug and its interaction with a model transport protein bovine serum albumin has been investigated. It is a potential inhibitor of human 20α-hydroxysteroid dehydrogenase.