베타-스티렌설포닐클로라이드

(E)-2-phenylethene-1-sulfonyl chloride

HCID 5369377

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4091-26-3
표준 SMILES: O=S(=O)(Cl)/C=C/c1ccccc1
InChIKey: ONWRSBMOCIQLRK-VOTSOKGWSA-N
분자식: C8H7ClO2S
평균 분자량: 202.66 g/mol

이름 및 식별자

우선 이름: (E)-2-phenylethene-1-sulfonyl chloride
IUPAC: (E)-2-phenylethenesulfonyl chloride
현지명: 베타-스티렌설포닐클로라이드
영어명: beta-Styrene sulfonyl chloride
분자식: C8H7ClO2S
분자량: 202.66

이름 및 동의어

52147-97-4(E)-2-phenylethene-1-sulfonyl chlorideRefChem:406288628-891-7(E)-2-Phenylethenesulfonyl chloride4091-26-32-Phenylethenesulfonyl chloridebeta-styrene sulfonyl chloridetrans-beta-Styrenesulfonyl chlorideMFCD00007456(E)-2-phenyl-ethenesulfonyl chloride2-phenylethene-1-sulfonyl chloride

이름 더 보기

베타-스티렌설포닐클로라이드(E)-Styrylsulfonyl chlorideβ-STYRENE SULFONYL CHLORIDETRNS- -STYRENESULFONYHL CHLORIDEtrans-β-styrenesulfonyl chloride2-Phenylethylenesulfonyl chlorideBETA-VINYLBENZENESULFONYL CHLORIDE(E)-2-Phenylethenesulphonyl chloride

Ethenesulfonyl chloride, 2-phenyl-F1967-0518Styrylsulfonyl chlorideStyrene-beta-sulphonyl chloride|A-STYRENE SULFONYL CHLORIDEEINECS 223-833-3({E})-2-phenylethylenesulfonyl chlorideEthenesulfonyl chloride, 2-phenyl-, (1E)-

데이터베이스 식별자

CAS: 4091-26-3、52147-97-4
PubChem CID: 5369377
EC Number: 223-833-3、628-891-7
Nikkaji: J1.505.967B、J124.144C

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 245

물리화학적 성질

녹는점: 85 · 85-88 °C (lit.)
끓는 점: 322.3 · 322.3±25.0 °C(Predicted)
밀도: 1.385 · 1.385±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: 1S/C8H7ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKey: ONWRSBMOCIQLRK-VOTSOKGWSA-N
SMILES: [H]\C(=C(\[H])S(Cl)(=O)=O)c1ccccc1

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 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.