5-메틸-4-이속사졸설포닐염화물

5-Methyl-1,2-oxazole-4-sulfonyl chloride

HCID 2776141CAS 321309-26-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1oncc1S(=O)(=O)Cl
InChIKey: STYUNYVEEFPQMF-UHFFFAOYSA-N
분자식: C4H4ClNO3S
평균 분자량: 181.6 g/mol
단동위원소 질량: 180.9600419

이름 및 식별자

우선 이름: 5-Methyl-1,2-oxazole-4-sulfonyl chloride
IUPAC: 5-methyl-1,2-oxazole-4-sulfonyl chloride
현지명: 5-메틸-4-이속사졸설포닐염화물
영어명: 5-Methyl-4-isoxazolesulfonyl chloride
분자식: C4H4ClNO3S
분자량: 181.6

이름 및 동의어

5-methyl-1,2-oxazole-4-sulfonyl ChlorideRefChem:536796812-451-85-Methyl-4-isoxazolesulfonyl chloride321309-26-65-methylisoxazole-4-sulfonyl chlorideMFCD02681975DTXSID30379837CS-W0056185-methyl-4-isoxazole sulfonyl chloride5-METHYL-4-ISOXAZOLESULFONYLCHLORIDEEN300-312299

이름 더 보기

5-메틸-4-이속사졸설포닐염화물5-Methylisoxazole-4-sulfonylchloride5-Methyl-isoxazol-4-sulfonyl chloride4-(Chlorosulphonyl)-5-methylisoxazole5-METHYL-4-ISOXAZOLESULPHONYL CHLORIDE5-Methylisoxazole-4-sulphonyl chloride4-Isoxazolesulfonylchloride,5-methyl-(9CI)4-(Chlorosulphonyl)-5-methylisoxazole, 5-Methyl-1,2-oxazole-4-sulphonyl chloride

5-methyl-4-isoxazolesulfonyl chloride, AldrichCPR4-Isoxazolesulfonyl chloride, 5-methyl-4-IsoxazoleFT-0620634SCHEMBL7458194-chlorosulfonyl-5-methylisoxazoleSBB089836chloro(5-methylisoxazol-4-yl)sulfone

데이터베이스 식별자

CAS: 321309-26-6
PubChem CID: 2776141
DTXSID: DTXSID30379837
EC Number: 812-451-8

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 68.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 209

물리화학적 성질

끓는 점: 56 · 56-58°C 0,7mm
밀도: 1.534 · 1.534±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -7.68 · -7.68±0.50(Predicted)
물리적 상태: 저융점 고체
색상: 무색~밝은 갈색
InChI: 1S/C4H4ClNO3S/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3
InChIKey: STYUNYVEEFPQMF-UHFFFAOYSA-N
SMILES: Cc1oncc1S(Cl)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.