3-(클로로에틸)-5-메틸-1,2,4-옥사디아졸

3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole

HCID 302157CAS 1192-80-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc(CCl)no1
InChIKey: ZFYVXZGJPJTIPQ-UHFFFAOYSA-N
분자식: C4H5ClN2O
평균 분자량: 132.55 g/mol
단동위원소 질량: 132.00904046

이름 및 식별자

우선 이름: 3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole
IUPAC: 3-(chloromethyl)-5-methyl-1,2,4-oxadiazole
현지명: 3-(클로로에틸)-5-메틸-1,2,4-옥사디아졸
영어명: 3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole
분자식: C4H5ClN2O
분자량: 132.55

이름 및 동의어

3-(chloromethyl)-5-methyl-1,2,4-oxadiazoleDTXSID10306989RefChem:494654DTXCID10258116692-261-81192-80-93-Chloromethyl-5-methyl-[1,2,4]oxadiazole1,2,4-OXADIAZOLE, 3-(CHLOROMETHYL)-5-METHYL-MFCD01809083NSC1848243-chloromethyl-5-methyl-1,2,4-oxadiazoleSCHEMBL1170174

이름 더 보기

3-(클로로에틸)-5-메틸-1,2,4-옥사디아졸3-(Chloromethyl)-5-methyl-1,2,4-oxadiazole 98%3-(chloromethyl)-5-methyl-1,2,4-oxadiazole(SALTDATA: FREE)

ZFYVXZGJPJTIPQ-UHFFFAZFYVXZGJPJTIPQ-UHFFFAOYSA-NALBB-018592SBB014359STK787108AKOS001200892AB09935NSC-184824

데이터베이스 식별자

CAS: 1192-80-9
PubChem CID: 302157
DTXSID: DTXSID10306989
EC Number: 692-261-8
Nikkaji: J774.286J

물성

구조 계산 물성

XLogP: 1
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 80.4

물리화학적 성질

끓는 점: 76 · 76-77 °C(Press: 15 Torr)
밀도: 1.291 · 1.291±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): -1.1 · -1.10±0.32(Predicted)
물리적 상태: 액체
색상: 무색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.