2,4-ジクロロ-5-スルファモイル安息香酸

5-(Aminosulfonyl)-2,4-dichlorobenzoic acid

HCID 17655CAS 2736-23-4
部分構造検索類似構造を探す

基本情報

標準SMILES
NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIKey
ZSHHRBYVHTVRFK-UHFFFAOYSA-N
分子式
C7H5Cl2NO4S
平均分子量
270.09 g/mol
単同位体質量
268.931634

概要

structure given in first source

名称と識別子

優先名称
5-(Aminosulfonyl)-2,4-dichlorobenzoic acid
IUPAC
2,4-dichloro-5-sulfamoylbenzoic acid
現地名
2,4-ジクロロ-5-スルファモイル安息香酸
英語名
2,4-Dichloro-5-sulfamoylbenzoic acid
分子式
C7H5Cl2NO4S
分子量
270.09

名称と別名

2,4-Dichloro-5-sulfamoylbenzoic acid2736-23-45-(Aminosulfonyl)-2,4-dichlorobenzoic acidBenzoic acid, 5-(aminosulfonyl)-2,4-dichloro-3-Sulfamoyl-4,6-dichlorobenzoic acidM 123255-Carboxy-2,4-dichlorobenzenesulfonamide5-Aminosulfonyl-2,4-dichlorobenzoic acidBENZOIC ACID, 2,4-DICHLORO-5-SULFAMOYL-LEG53TF0SNDTXSID90181791M-12325
名称をさらに表示
2,4-ジクロロ-5-スルファモイル安息香酸5-(アミノスルホニル)-2,4-ジクロロ安息香酸2,4-ジクロロ-5-(アミノスルホニル)安息香酸2,4-ジクロロ-5-(スルファモイル)安息香酸3-(アミノスルホニル)-4,6-ジクロロ安息香酸Lassamide2,4-Dichlor-5-sulfamoylbenzoesure2,4-Dichloro-5-sulphamoylbenzoic AcLasamide(2,4-Dichloro-5-Sulfamoyl Benzoic Acid)TIMTEC-BB SBB001061DichlorosulfonamideLeadQuest Compound 92,4-Dichloro-5-sulfa
RefChem:82340DTXCID30104282220-358-3Lasamide2,4-Dichloro-5-sulfamoyl-benzoic acidFurosemide EP impurity B2,4-Dichloro-5-sulphamoylbenzoic acidMFCD00007931

データベース識別子

CAS
2736-23-4
PubChem CID
17655
DTXSID
DTXSID90181791
ChEMBL
CHEMBL120886
UNII
LEG53TF0SN
EC Number
220-358-3
Nikkaji
J41.159K

物性

構造計算による物性

XLogP
1.3
極性表面積
106 Ų
水素結合供与体数
2
水素結合受容体数
5
回転可能結合数
2
重原子数
15

実験および物理化学的性質

Chemical ClassesOther Classes -> Benzenesulfonic Acid Derivatives
Physical DescriptionPowder; [MSDSonline]

物理化学的性質

融点
230 · 230-232 °C (dec.)(lit.)
沸点
503.8 · 503.8±60.0 °C(Predicted)
比重(密度)
1.5426 · 1.5426 (rough estimate)
屈折率
1.6 · 1.6000 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
DMSO（微量）、メタノール（微量、加温）

化学的性質

化学的特性white to off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationREACH registered substance: 2,4-dichloro-5-sulphamoylbenzoic acid (EC: 220-358-3)
Hazards Summary · 1 件

Exposure occurs during the handling, drying and packaging of lasamide at production plants in the Czech Republic, China, and India; Nonspecific bronchoconstriction tests were positive in 3 workers with occupational rhinitis and asthma; [Reference #1] A skin, eye, and respiratory tract irritant; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

毒性情報

Adverse EffectsAsthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.

安全データ

wgk
3
rtecs
DG8100000
毒性
mouse,LD50,intraperitoneal,15gm/kg (15000mg/kg),Pharmaceutical Chemistry Journal Vol. 19, Pg. 697, 1985.
hs_code
29350090
risk_code
36/37/38
化審法
(9)-583

化学と産業

用途と製造

UsesUsed to make furosemide (Lasix), a medication used as a diuretic; [Reference #1]

応用分野

用途有機合成原料。

使用2,4-Dichloro-5-sulfamoylbenzoic Acid is a chlorinated sulfamoylbenzoic acid with diuretic acid.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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