2-tert-부틸-5-클로로-이소티아졸-3-온

2-Tert-butyl-5-chloro-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trione

HCID 21878638

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 850314-47-5
표준 SMILES: CC(C)(C)N1C(=O)C=C(Cl)S1(=O)=O
InChIKey: HVIHMBJTRYBOCP-UHFFFAOYSA-N
분자식: C7H10ClNO3S
평균 분자량: 223.68 g/mol
단동위원소 질량: 223.00699186

이름 및 식별자

우선 이름: 2-Tert-butyl-5-chloro-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trione
IUPAC: 2-tert-butyl-5-chloro-1,1-dioxo-1,2-thiazol-3-one
현지명: 2-tert-부틸-5-클로로-이소티아졸-3-온
영어명: 2-TERT-BUTYL-5-CHLORO-ISOTHIAZOL-3-ONE
분자식: C7H10ClNO3S
분자량: 223.68

이름 및 동의어

2-tert-butyl-5-chloro-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trioneRefChem:483647818-155-5850314-47-52-TERT-BUTYL-5-CHLORO-1,1-DIOXOISOTHIAZOL-3(2H)-ONE2-(TERT-BUTYL)-5-CHLOROISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDEMFCD090296212-tert-butyl-5-chloro-1,1-dioxo-1,2-thiazol-3-one2-(tert-Butyl)-5-chloro-1,1-dioxoisothiazol-3(2H)-one2-tert-butyl-5-chloro-1,1-dioxo-isothiazol-3-oneCHEMBL44637773(2H)-Isothiazolone,5-chloro-2-(1,1-dimethylethyl)-, 1,1-dioxide

이름 더 보기

2-tert-부틸-5-클로로-이소티아졸-3-온2-TERT-BUTYL-5-CHLORO-ISOTHIAZOL-3-ONE2-(tert-butyl)-5-chloroisothiazole-3-one2-Tert-butyl-5-chloro-2,3-dihydro-1λ6,2-thiazole-1,1,3-trione2-tert-butyl-5-chloro-1,1-dioxo-1,2-dihydro-1λ6-isothiazol-3-one2-tert-butyl-5-chloro-1,1-dioxo-1,2-dihydro-1λ6-isothiazol-3-one C7H10ClNO3S

2-tert-Butyl-5-chloro-1,1-dioxo-1,2-dihydro-1lambda6-isothiazol-3-oneSCHEMBL3288725DTXSID30619285HVIHMBJTRYBOCP-UHFFFAOYSA-NAJB314473(2H)-Isothiazolone, 5-chloro-2-(1,1-dimethylethyl)-, 1,1-dioxideBDBM50524462FD6048

데이터베이스 식별자

CAS: 850314-47-5
PubChem CID: 21878638
DTXSID: DTXSID30619285
ChEMBL: CHEMBL4463777
EC Number: 818-155-5

물성

구조 계산 물성

XLogP: 1
극성 표면적: 62.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 372

물리화학적 성질

끓는 점: 298.3 · 298.3±50.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 가루
산도 계수 (pKa): -18.38 · -18.38±0.40(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.