3,5-디메틸리속사졸-4-술포닐염화물

3,5-Dimethylisoxazole-4-sulfonyl chloride

HCID 2736319CAS 80466-79-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1noc(C)c1S(=O)(=O)Cl
InChIKey: GZLPFEYTAAXJCP-UHFFFAOYSA-N
분자식: C5H6ClNO3S
평균 분자량: 195.62 g/mol
단동위원소 질량: 194.97569173

이름 및 식별자

우선 이름: 3,5-Dimethylisoxazole-4-sulfonyl chloride
IUPAC: 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride
현지명: 3,5-디메틸리속사졸-4-술포닐염화물
영어명: 3,5-Dimethylisoxazole-4-sulfonyl chloride
분자식: C5H6ClNO3S
분자량: 195.62

이름 및 동의어

80466-79-13,5-dimethylisoxazole-4-sulfonyl chlorideDTXSID10371273RefChem:271966DTXCID70322307672-861-63,5-Dimethylisoxazole-4-sulfonylchloride3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride3,5-dimethyl-isoxazole-4-sulfonyl chloride3,5-dimethylisoxazole-4-sulphonyl chloridedimethyl-1,2-oxazole-4-sulfonyl chlorideMFCD00052554

이름 더 보기

3,5-디메틸리속사졸-4-술포닐염화물DMISCAKOS B020507AKOS PAO-1613AKOS BBS-00002878BUTTPARK 27\06-15ART-CHEM-BB B0205074-CHLOROSULFONYL-3.5-DIMETHYLISOXAZOLE3,5-DiMethylsoxazole-4-sulfonyl chloride

C5H6ClNO3SF1983-00254-ISOXAZOLESULFONYL CHLORIDE, 3,5-DIMETHYL-3,5-dimethyl-4-isoxazolesulfonyl chlorideSCHEMBL103900SMSSF-0016785ALBB-004733STR05901

데이터베이스 식별자

CAS: 80466-79-1
PubChem CID: 2736319
DTXSID: DTXSID10371273
EC Number: 672-861-6

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 68.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 235

물리화학적 성질

녹는점: 39 · 39-40°C
끓는 점: 102 · 102-103 °C(Press: 14 Torr)
밀도: 1.452 · 1.452±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
산도 계수 (pKa): -4.42 · -4.42±0.28(Predicted)
색상: 노란색

화학적 성질

White to off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (88.9%): 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+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.