5-클로로씨오펜-2-설포닐 클로라이드

5-Chlorothiophene-2-sulfonyl chloride

HCID 2733925CAS 2766-74-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccc(Cl)s1
InChIKey: SORSTNOXGOXWAO-UHFFFAOYSA-N
분자식: C4H2Cl2O2S2
평균 분자량: 217.1 g/mol
단동위원소 질량: 215.88732666

이름 및 식별자

우선 이름: 5-Chlorothiophene-2-sulfonyl chloride
IUPAC: 5-chlorothiophene-2-sulfonyl chloride
현지명: 5-클로로씨오펜-2-설포닐 클로라이드
영어명: 5-Chlorothiophene-2-sulfonyl chloride
분자식: C4H2Cl2O2S2
분자량: 217.09

이름 및 동의어

5-Chlorothiophene-2-sulfonyl chloride5-chloro-2-thiophenesulfonyl chlorideDTXSID30370041EC 700-248-6RefChem:535030DTXCID70321077700-248-62766-74-75-chlorothiophene-2-sulfonylchloride5-CHLOROTHIOPHENE-2-SULPHONYL CHLORIDE5-Chlorothiophenesulphonyl chloride2-Thiophenesulfonyl chloride, 5-chloro-

이름 더 보기

5-클로로씨오펜-2-설포닐클로라이드AKOS B019398BUTTPARK 27\04-09ART-CHEM-BB B0193985-chlorothiophene-2-sulfonyl5-chlorobenzenesulfonyl chloride5-CHLORO-2-THIENYLSULFONYL CHLORIDE5-Chlorothiophen-2-sulfonyl chloride

MFCD00051667C4H2Cl2O2S25-chloro-thiophene-2-sulfonyl chloridechloro(5-chloro(2-thienyl))sulfonetimtec-bb sbb003378SCHEMBL192695-chloro-2-thienylsufonyl chloride5-chlorothiophene sulfonyl chloride

데이터베이스 식별자

CAS: 2766-74-7
PubChem CID: 2733925
DTXSID: DTXSID30370041
EC Number: 700-248-6
Nikkaji: J364.676I

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 70.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 208

물리화학적 성질

녹는점: 25 · 25-28°C
끓는 점: 112 · 112-117 °C (lit.)
밀도: 1.623 g/mL · 1.623 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.586(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 고체
Specific Gravity: 1.623 · 1.623
색상: 무색~황색~주황색
수용성: 물과 섞이지 않습니다.
BRN: 130710 · 130710
InChI: InChI=1S/C4H2Cl2O2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
InChIKey: SORSTNOXGOXWAO-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)SC(Cl)=CC=1

화학적 성질

5-Chlorothiophene-2-sulfonyl chloride is white to yellow crystalline low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 18-05-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/1587

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29349990
risk_code: 34-29-14
hazard_code: C
safety_code: 26-27-36/37/39-45-28A-25
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도5-Chlorothiophene-2-sulfonyl chloride is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs. It is used in the preparation of Notch-1-sparing γ-secretase inhibitors for the treatment of Alzheimer's disease.

일반 설명5-Chlorothiophene-2-sulfonyl chloride can be prepared from 2-chlorothiophene by reacting with chlorosulfonic acid in the presence of phosphorus pentachloride.