2,4-디클로로-5-설파모일벤조익 산

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

HCID 17655CAS 2736-23-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIKey
ZSHHRBYVHTVRFK-UHFFFAOYSA-N
분자식
C7H5Cl2NO4S
평균 분자량
270.09 g/mol
단동위원소 질량
268.931634

개요

structure given in first source

이름 및 식별자

우선 이름
5-(Aminosulfonyl)-2,4-dichlorobenzoic acid
IUPAC
2,4-dichloro-5-sulfamoylbenzoic acid
현지명
2,4-디클로로-5-설파모일벤조익 산
영어명
2,4-Dichloro-5-sulfamoylbenzoic acid
분자식
C7H5Cl2NO4S
분자량
270.09

이름 및 동의어

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
이름 더 보기
2,4-디클로로-5-설파모일벤조익산Lassamide2,4-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.3
극성 표면적
106 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
15

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
230 · 230-232 °C (dec.)(lit.)
끓는 점
503.8 · 503.8±60.0 °C(Predicted)
밀도
1.5426 · 1.5426 (rough estimate)
굴절률
1.6 · 1.6000 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)

화학적 성질

white to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

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%)

독성 정보

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

안전 데이터

wgk
3
rtecs
DG8100000
독성
mouse,LD50,intraperitoneal,15gm/kg (15000mg/kg),Pharmaceutical Chemistry Journal Vol. 19, Pg. 697, 1985.
HS 번호
29350090
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

용도 및 제조

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

응용 분야

용도2,4-Dichloro-5-sulfamoylbenzoic Acid is a chlorinated sulfamoylbenzoic acid with diuretic acid.

상·하류 제품 정보

공급사50 곳

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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