4-요오도-3,5-디메틸이속사졸

4-Iodo-3,5-dimethyl-1,2-oxazole

HCID 613883

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10557-85-4
표준 SMILES: Cc1noc(C)c1I
InChIKey: NMNOXVWRJISEFE-UHFFFAOYSA-N
분자식: C5H6INO
평균 분자량: 223.01 g/mol
단동위원소 질량: 222.94941181

이름 및 식별자

우선 이름: 4-Iodo-3,5-dimethyl-1,2-oxazole
IUPAC: 4-iodo-3,5-dimethyl-1,2-oxazole
현지명: 4-요오도-3,5-디메틸이속사졸
영어명: 4-Iodo-3,5-dimethylisoxazole
분자식: C5H6INO
분자량: 223.01

이름 및 동의어

4-iodo-3,5-dimethyl-1,2-oxazoleRefChem:524189675-469-33,5-Dimethyl-4-iodoisoxazole10557-85-44-Iodo-3,5-dimethylisoxazoleIsoxazole, 4-iodo-3,5-dimethyl-MFCD001737434-iodo-3,5-dimethyl-isoxazoleSCHEMBL1682435CHEMBL54127284-Iodo-3,5-dimethylisoxazole #

이름 더 보기

4-요오도-3,5-디메틸이속사졸BUTTPARK 97\06-603.5-dimethyl-4-iodoisorazole4-Iodo-3,5-dimethylisoxazole>3,5-DIMETHYL-4-IODOISOXAZOLE 97%3,5-diMethyl-4-iodoMethylisoxazole

4-Iodo-3,5-dimethylisoxazole, 97%BP-10650AE-848/05787011Z569874234-iodo 3,5 dimethylisooxazoleDTXSID90346666BDBM50622829SBB054430

데이터베이스 식별자

CAS: 10557-85-4
PubChem CID: 613883
DTXSID: DTXSID90346666
ChEMBL: CHEMBL5412728
EC Number: 675-469-3
Nikkaji: J47.271I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 88.5

물리화학적 성질

녹는점: 51 °C · 51 °C
끓는 점: 239.2 · 239.2±35.0 °C(Predicted)
밀도: 1.8763 · 1.8763 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -2.3 · -2.30±0.28(Predicted)
색상: Light yellow to Yellow to Orange
InChI: InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKey: NMNOXVWRJISEFE-UHFFFAOYSA-N
SMILES: O1C(C)=C(I)C(C)=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.