4-(1,3-OXAZOL-5-YL)벤젠설포닐염화물

4-(1,3-Oxazol-5-yl)benzenesulphonyl chloride

HCID 2776415

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 337508-66-4
표준 SMILES: O=S(=O)(Cl)c1ccc(-c2cnco2)cc1
InChIKey: QCGUTLAPXWBIMM-UHFFFAOYSA-N
분자식: C9H6ClNO3S
평균 분자량: 243.67 g/mol
단동위원소 질량: 242.97569173

이름 및 식별자

우선 이름: 4-(1,3-Oxazol-5-yl)benzenesulphonyl chloride
IUPAC: 4-(1,3-oxazol-5-yl)benzenesulfonyl chloride
현지명: 4-(1,3-OXAZOL-5-YL)벤젠설포닐염화물
영어명: 4-(1,3-Oxazol-5-yl)benzenesulfonyl chloride
분자식: C9H6ClNO3S
분자량: 243.67

이름 및 동의어

4-(1,3-Oxazol-5-yl)benzenesulphonyl chlorideRefChem:510178638-945-1337508-66-44-(1,3-oxazol-5-yl)benzenesulfonyl Chloride4-(oxazol-5-yl)benzene-1-sulfonyl chloride4-(Oxazol-5-yl)benzenesulfonyl chloride4-Oxazol-5-yl-benzenesulfonyl chlorideMFCD026819624-(1,3-Oxazol-5-Yl)Benzene-1-Sulfonyl ChlorideBenzenesulfonyl chloride, 4-(5-oxazolyl)-4-Oxazol-5-ylbenzenesulfonyl chloride

이름 더 보기

4-(1,3-OXAZOL-5-YL)벤젠설포닐염화물5-[4-(Chlorosulphonyl)phenyl]-1,3-oxazole4-(oxazol-5-yl)benzene-1-sulfonylchloride4-(1,3-Oxazol-5-yl)-2-benzenesulfonyl chlorideBenzenesulfonyl chloride, 4-(5-oxazolyl)- (9CI)

4-(1,3-Oxazol-5-Yl)BenzenesulfonylChlorideSCHEMBL343986DTXSID80380059QCGUTLAPXWBIMM-UHFFFAOYSA-NSBB0549834-oxazol-5-ylbenzenesulfonyl-chlorideAKOS0062222754-(5-oxazolyl)benzenesulfonyl chloride

데이터베이스 식별자

CAS: 337508-66-4
PubChem CID: 2776415
DTXSID: DTXSID80380059
EC Number: 638-945-1

물성

구조 계산 물성

XLogP: 2
극성 표면적: 68.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 306

물리화학적 성질

녹는점: 101 °C · 101 °C
끓는 점: 384.6 · 384.6±25.0 °C(Predicted)
밀도: 1.455 · 1.455±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): -0.46 · -0.46±0.10(Predicted)

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