3-(디클로로아세틸)-2,2,5-트리메틸옥사졸리딘

2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine

HCID 62019CAS 52836-31-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CN(C(=O)C(Cl)Cl)C(C)(C)O1
InChIKey: YNQSILKYZQZHFJ-UHFFFAOYSA-N
분자식: C8H13Cl2NO2
평균 분자량: 226.1 g/mol
단동위원소 질량: 225.032334

이름 및 식별자

우선 이름: 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine
IUPAC: 2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone
현지명: 3-(디클로로아세틸)-2,2,5-트리메틸옥사졸리딘
영어명: 3-(Dichloroacetyl)-2,2,5-trimethyloxazolidine
분자식: C8H13Cl2NO2
분자량: 226.1

이름 및 동의어

52836-31-42,2,5-Trimethyl-3-dichloroacetyl-1,3-oxazolidineJLY7K2SJEK2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine3-(dichloroacetyl)-2,2,5-trimethyl-1,3-oxazolidineOXAZOLIDINE, 3-(DICHLOROACETYL)-2,2,5-TRIMETHYL-DTXSID50280312,2,5-trimethyl-3-(dichloroacetyl)oxazolidineRefChem:494821DTXCID108031258-214-73-(Dichloroacetyl)-2,2,5-trimethyloxazolidine

이름 더 보기

3-(디클로로아세틸)-2,2,5-트리메틸옥사졸리딘2,2-dichloro-1-(2,2,5-trimethyl-3-oxazolidinyl)ethanoneEthanone,2,2-dichloro-1-(2,2,5-trimethyl-3-oxazolidinyl)-

2,2-Dichloro-1-(2,2,5-trimethyloxazolidin-3-yl)ethanone2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone2,2,5-trimethyl-3-dichloroacetyl oxazolidineR 291482,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethan-1-one2,2-dichloro-1-(2,2,5-trimethyloxazolidin-3-yl)ethan-1-oneR-29148Ethanone, 2,2-dichloro-1-(2,2,5-trimethyl-3-oxazolidinyl)-

데이터베이스 식별자

CAS: 52836-31-4
PubChem CID: 62019
DTXSID: DTXSID5028031
ChEMBL: CHEMBL2269057
ChEBI: CHEBI:147358
UNII: JLY7K2SJEK
EC Number: 258-214-7
Nikkaji: J10.893F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 218

물리화학적 성질

녹는점: 85 · 85 - 88°C
저장 조건: Refrigerator, under inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
EPA: 2 · 2,2,5-Trimethyl-3-dichloroacetyl-1,3-oxazolidine (52836-31-4)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.