5-Bromo-2-thiophenesulfonamide

HCID 1241304

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 53595-65-6
표준 SMILES: NS(=O)(=O)c1ccc(Br)s1
InChIKey: WXJQQLDICAOBJB-UHFFFAOYSA-N
분자식: C4H4BrNO2S2
평균 분자량: 242.1 g/mol
단동위원소 질량: 240.88668247

이름 및 식별자

우선 이름: 5-Bromo-2-thiophenesulfonamide
IUPAC: 5-bromothiophene-2-sulfonamide
영어명: 5-Bromothiophene-2-sulfonamide
분자식: C4H4BrNO2S2
분자량: 242.11

이름 및 동의어

53595-65-65-Bromo-2-thiophenesulfonamideRefChem:533378611-018-95-Bromothiophene-2-sulfonamide5-bromo-thiophene-2-sulfonic acid amideMFCD000679905-Bromothiophene-2-sulfonic acid amide2-thiophenesulfonamide, 5-bromo-5-bromothiophene-2-sulphonamideMaybridge1_0048855-bromothien-2-ylsulfonamide

이름 더 보기

BUTTPARK 21\07-105-Bromothiophene-2-s5-Bromo-2-thiophenesulfomide5-Bromothiophene-2-Sulfonylami2-BROMOTHIOPHENE-5-SULFOMAMIDE2-BROMO THIOPHENE-5-SULFONAMIDE5-BROMOTHIOPHENE-2-SULFONYLAMINE

SCHEMBL625352CHEMBL4531435-bromo-thiophene-2-sulfonamide5-Bromothiophene-2-sulfon-amideHMS555G01DTXSID20361302CL1309SBB099539

데이터베이스 식별자

CAS: 53595-65-6
PubChem CID: 1241304
DTXSID: DTXSID20361302
ChEMBL: CHEMBL453143
EC Number: 611-018-9
Nikkaji: J1.906.873K

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 96.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 210

물리화학적 성질

녹는점: 138 · 138-142 °C (lit.)
끓는 점: 386.4 · 386.4±52.0 °C(Predicted)
밀도: 1.951 · 1.951±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 9.75 · 9.75±0.60(Predicted)
색상: Light orange to Yellow to Green
InChI: 1S/C4H4BrNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
InChIKey: WXJQQLDICAOBJB-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1ccc(Br)s1

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (50%)

안전 데이터

wgk: 3
HS 번호: 29350090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 2건

용도5-Bromothiophene-2-sulfonamide may be used to synthesize:5-(phenylthio)thiophene-2-sulfonamide5-bromothiophene-2-sulfonyl acetamide5-arylthiophene-2-sulfonylacetamide derivativesIt may also be used in the preparation of the following 5-arylthiophene-2-sulfonamides:5-phenylthiophene-2-sulfonamide5-(3-cyno-5-(trifluoromethyl)phenyl)thiophene-2-sulfonamide5-(3,5-bis(trifluoromethyl)phenyl)thiophene-2-sulfonamide5′-chloro-2,2′-bithiophene-5-sulfonamide 5′-methyl-2,2′-bithiophene-5-sulfonamide 5-p-tolylthiophene-2-sulfonamide5-(4-methoxyphenyl)thiophene-2-sulfonamide5-(4-chlorophenyl)thiophene-2-sulfonamide5-(3,4-dichlorophenyl)thiophene-2-sulfonamide5-(3,5-dimethylphenyl)thiophene-2-sulfonamide5-(4-chloro-3-fluorophenyl)thiophene-2-sulfonamide

일반 설명5-Bromothiophene-2-sulfonamide can be synthesized by reacting 5-bromothiophene-2-sulfonyl fluoride with ammonium hydroxide in 2-methyltetrahydrofuran.